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1ds8

;PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES IN THE CHARGE-NEUTRAL DQAQB STATE WITH THE PROTON TRANSFER INHIBITOR CD2+ ;

Method: X-RAY DIFFRACTION D_max: 148.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ds8
deposition_date	2000-01-07
title	;PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES IN THE CHARGE-NEUTRAL DQAQB STATE WITH THE PROTON TRANSFER INHIBITOR CD2+ ;
keywords	;Bacterial Photosynthesis, Rhodobacter Sphaeroides, Metal Ion Binding, Cation Binding, Proton Transfer, Integral Membrane Protein, PHOTOSYNTHESIS ;; PHOTOSYNTHESIS
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	51.80 Å
rg_electron	51.16 Å
i0	433923000.00
molecular_weight	196560.0 kDa
excluded_volume	254220 Å³
envelope_volume	334300 Å³
shell_volume	53968 Å³
envelope_diameter	162.3 Å
shell_rg	56.00 Å
envelope_rg	49.27 Å
shape_rg	51.09 Å
total_rg	51.62 Å
total_atoms	13947
n_residues	1652
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	148.4 Å
rg_real	52.01 Å
rg_real_error	1.79 Å
i0_real	4.3390e+08
i0_real_error	8.6760e+06
rg_reciprocal	51.58 Å
i0_reciprocal	433700000.0000
total_estimate	0.7685
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	39.6 Å
skewness	0.236
kurtosis	-1.042
angular_range	— – 0.1500 Å⁻¹
current_alpha	0.0000
highest_alpha	21060000.0000
n_real_points	31
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.778; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.656; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (11)

Entity 1 polymer

description	REACTION CENTER PROTEIN L CHAIN
formula_weight	31346.4 kDa
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	L,R
atom_count	14529

ALLSFERKYRVPGGTLVGGNLFDFWVGPFYVGFFGVATFFFAALGIILIAWSAVLQGTWNPQLISVYPPALEYGLGGAPLAKGGLWQIITICATGAFVSWALREVEICRKLGIGYHIPFAFAFAILAYLTLVLFRPVMMGAWGYAFPYGIWTHLDWVSNTGYTYGNFHYNPAHMIAISFFFTNALALALHGALVLSAANPEKGKEMRTPDHEDTFFRDLVGYSIGTLGIHRLGLLLSLSAVFFSALCMIITGTIWFDQWVDWWQWWVKLPWWANIPGGING

Entity 2 polymer

description	REACTION CENTER PROTEIN M CHAIN
formula_weight	34355.5 kDa
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	M,S

AEYQNIFSQVQVRGPADLGMTEDVNLANRSGVGPFSTLLGWFGNAQLGPIYLGSLGVLSLFSGLMWFFTIGIWFWYQAGWNPAVFLRDLFFFSLEPPAPEYGLSFAAPLKEGGLWLIASFFMFVAVWSWWGRTYLRAQALGMGKHTAWAFLSAIWLWMVLGFIRPILMGSWSEAVPYGIFSHLDWTNNFSLVHGNLFYNPFHGLSIAFLYGSALLFAMHGATILAVSRFGGERELEQIADRGTAAERAALFWRWTMGFNATMEGIHRWAIWMAVLVTLTGGIGILLSGTVVDNWYVWGQNHGMAPLA

Entity 3 polymer

description	REACTION CENTER PROTEIN H CHAIN
formula_weight	28137.4 kDa
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	H,T

MVGVTAFQNFDLASLAIYSFWIFLAGLIYYLQTENMREGYPLENEDGTPAANQGPFPLPKPKTFILPHGRGTLTVPGPESEDRPIALARTAVSEGFPHAPTGDPMKDGVGPASWVARRDLPELDGHGHNKIKPMKAAAGFHVSAGKNPIGLPVRGCDLEIAGKVVDIWVDIPEQMARFLEVELKDGSTRLLPMQMVKVQSNRVHVNALSSDLFAGIPTIKSPTEVTLLEEDKICGYVAGGLMYAAPKRKSVVAAMLAEYA

Entity 4 non-polymer

description	BACTERIOCHLOROPHYLL A
formula_weight	911.5 kDa
src_method	syn
entity_count	8

Entity 5 non-polymer

description	BACTERIOPHEOPHYTIN A
formula_weight	889.2 kDa
src_method	syn
entity_count	4

Entity 6 non-polymer

description	UBIQUINONE-10
formula_weight	863.3 kDa
src_method	syn
entity_count	4

Entity 7 non-polymer

description	FE (II) ION
formula_weight	55.8 kDa
src_method	syn
entity_count	2

Entity 8 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

Entity 9 non-polymer

description	LAURYL DIMETHYLAMINE-N-OXIDE
formula_weight	229.4 kDa
src_method	syn
entity_count	6

Entity 10 non-polymer

description	CADMIUM ION
formula_weight	112.4 kDa
src_method	syn
entity_count	2

Entity 11 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	582

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6. Citations (4)

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length_a	139.590 Å
length_b	139.590 Å
length_c	272.860 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	2.500 Å
resolution_low	50.000 Å
r_factor	0.2290
r_work	0.2270
r_free	0.2560

fit	/app/data/saxs_computation/ds/1ds8/1ds8.fit
pddf	/app/data/pr_computation/ds/1ds8/1ds8.pr.out
profile	/app/data/saxs_computation/ds/1ds8/1ds8.dat

;PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES IN THE CHARGE-NEUTRAL DQAQB STATE WITH THE PROTON TRANSFER INHIBITOR CD2+ ;

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction

5. Entities & Polymer Info (11)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 polymer

Polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 non-polymer

Entity 7 non-polymer

Entity 8 non-polymer

Entity 9 non-polymer

Entity 10 non-polymer

Entity 11 water

6. Citations (4)

7. Files & Curves (10)

Files (7)

Curves (3)