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1aa1

ACTIVATED SPINACH RUBISCO IN COMPLEX WITH THE PRODUCT 3-PHOSPHOGLYCERATE

Method: X-RAY DIFFRACTION D_max: 129.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aa1
deposition_date	1997-01-20
title	ACTIVATED SPINACH RUBISCO IN COMPLEX WITH THE PRODUCT 3-PHOSPHOGLYCERATE
keywords	OXIDOREDUCTASE, LYASE (CARBON-CARBON); OXIDOREDUCTASE
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	42.52 Å
rg_electron	42.07 Å
i0	961404000.00
molecular_weight	254750.0 kDa
excluded_volume	317660 Å³
envelope_volume	411990 Å³
shell_volume	77115 Å³
envelope_diameter	135.7 Å
shell_rg	50.52 Å
envelope_rg	42.19 Å
shape_rg	42.07 Å
total_rg	42.42 Å
total_atoms	17948
n_residues	2240
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	129.8 Å
rg_real	42.31 Å
rg_real_error	0.92 Å
i0_real	9.6140e+08
i0_real_error	1.6320e+07
rg_reciprocal	42.52 Å
i0_reciprocal	961600000.0000
total_estimate	0.8849
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	59.6 Å
skewness	0.105
kurtosis	-0.536
angular_range	— – 0.1850 Å⁻¹
current_alpha	0.0000
highest_alpha	242700000.0000
n_real_points	38
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.947; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.982; Smooth: 0.678

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	RIBULOSE BISPHOSPHATE CARBOXYLASE (LARGE CHAIN)
formula_weight	52777.7 kDa
ec_number	4.1.1.39
src_method	nat
entity_count	4

Polymer

type	polypeptide(L)
strand_id	L,B,E,H
atom_count	18956

MSPQTETKASVGFKAGVKDYKLTYYTPEYETLDTDILAAFRVSPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTNLDRYKGRCYHIEPVAGEENQYICYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPVAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEALYKAQAETGEIKGHYLNATAGTCEDMMKRAVFARELGVPIVMHDYLTGGFTANTTLSHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRLSGGDHIHSGTVVGKLEGERDITLGFVDLLRDDYTEKDRSRGIYFTQSWVSTPGVLPVASGGIHVWHMPALTEIFGDDSVLQFGGGTLGHPWGNAPGAVANRVALEACVQARNEGRDLAREGNTIIREATKWSPELAAACEVWKEIKFEFPAMDTV

Entity 2 polymer

description	RIBULOSE BISPHOSPHATE CARBOXYLASE (SMALL CHAIN)
formula_weight	14638.7 kDa
ec_number	4.1.1.39
src_method	nat
entity_count	4

Polymer

type	polypeptide(L)
strand_id	S,C,F,I

MQVWPILNLKKYETLSYLPPLTTDQLARQVDYLLNNKWVPCLEFETDHGFVYREHHNSPGYYDGRYWTMWKLPMFGCTDPAQVLNELEECKKEYPNAFIRIIGFDSNREVQCISFIAYKPAGY

Entity 3 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	3-PHOSPHOGLYCERIC ACID
formula_weight	186.1 kDa
src_method	syn
entity_count	8

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1008

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6. Citations (2)

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length_a	157.600 Å
length_b	158.700 Å
length_c	203.300 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	32

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.200 Å
resolution_low	7.000 Å
r_factor	0.2070
r_work	0.2070
r_free	0.2240

fit	/app/data/saxs_computation/aa/1aa1/1aa1.fit
pddf	/app/data/pr_computation/aa/1aa1/1aa1.pr.out
profile	/app/data/saxs_computation/aa/1aa1/1aa1.dat

ACTIVATED SPINACH RUBISCO IN COMPLEX WITH THE PRODUCT 3-PHOSPHOGLYCERATE

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 (5)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)