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1brl

THREE-DIMENSIONAL STRUCTURE OF BACTERIAL LUCIFERASE FROM VIBRIO HARVEYI AT 2.4 ANGSTROMS RESOLUTION

Method: X-RAY DIFFRACTION D_max: 468.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1brl
deposition_date	1995-03-20
title	THREE-DIMENSIONAL STRUCTURE OF BACTERIAL LUCIFERASE FROM VIBRIO HARVEYI AT 2.4 ANGSTROMS RESOLUTION
keywords	MONOOXYGENASE, LUMINESCENCE; LUMINESCENCE
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	— Å
rg_electron	106.70 Å
i0	309682000.00
molecular_weight	147180.0 kDa
excluded_volume	182360 Å³
envelope_volume	388320 Å³
shell_volume	30061 Å³
envelope_diameter	288.5 Å
shell_rg	117.90 Å
envelope_rg	94.81 Å
shape_rg	106.60 Å
total_rg	106.80 Å
total_atoms	10359
n_residues	1318
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	468.8 Å
rg_real	106.90 Å
rg_real_error	14.54 Å
i0_real	3.0970e+08
i0_real_error	9.6760e+06
rg_reciprocal	87.30 Å
i0_reciprocal	292500000.0000
total_estimate	0.5371
solution_quality	REASONABLE a REASONABLE solution
n_peaks	5
r_peak_primary	33.5 Å
skewness	0.105
kurtosis	-1.762
angular_range	— – 0.0700 Å⁻¹
current_alpha	0.0006
highest_alpha	8254000.0000
n_real_points	15
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.000; Stabil: 0.992; Sysdev: 1.000; Positv: 1.000; Valcen: 0.000; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	BACTERIAL LUCIFERASE
formula_weight	40197.1 kDa
ec_number	1.14.14.3
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,C
atom_count	10432

MKFGNFLLTYQPPELSQTEVMKRLVNLGKASEGCGFDTVWLLEHHFTEFGLLGNPYVAAAHLLGATETLNVGTAAIVLPTAHPVRQAEDVNLLDQMSKGRFRFGICRGLYDKDFRVFGTDMDNSRALMDCWYDLMKEGFNEGYIAADNEHIKFPKIQLNPSAYTQGGAPVYVVAESASTTEWAAERGLPMILSWIINTHEKKAQLDLYNEVATEHGYDVTKIDHCLSYITSVDHDSNRAKDICRNFLGHWYDSYVNATKIFDDSDQTKGYDFNKGQWRDFVLKGHKDTNRRIDYSYEINPVGTPEECIAIIQQDIDATGIDNICCGFEANGSEEEIIASMKLFQSDVMPYLKEKQ

Entity 2 polymer

description	BACTERIAL LUCIFERASE
formula_weight	36384.7 kDa
ec_number	1.14.14.3
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,D

MKFGLFFLNFMNSKRSSDQVIEEMLDTAHYVDQLKFDTLAVYENHFSNNGVVGAPLTVAGFLLGMTKNAKVASLNHVITTHHPVRVAEEACLLDQMSEGRFAFGFSDCEKSADMRFFNRPTDSQFQLFSECHKIINDAFTTGYCHPNNDFYSFPKISVNPHAFTEGGPAQFVNATSKEVVEWAAKLGLPLVFRWDDSNAQRKEYAGLYHEVAQAHGVDVSQVRHKLTLLVNQNVDGEAARAEARVYLEEFVRESYSNTDFEQKMGELLSENAIGTYEESTQAARVAIECCGAADLLMSFESMEDKAQQRAVIDVVNANIVKYHS

Entity 3 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	73

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6. Citations (1)

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length_a	59.900 Å
length_b	112.700 Å
length_c	301.800 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.400 Å
resolution_low	30.000 Å
r_factor	0.2080
r_work	—
r_free	—

fit	/app/data/saxs_computation/br/1brl/1brl.fit
pddf	/app/data/pr_computation/br/1brl/1brl.pr.out
profile	/app/data/saxs_computation/br/1brl/1brl.dat

THREE-DIMENSIONAL STRUCTURE OF BACTERIAL LUCIFERASE FROM VIBRIO HARVEYI AT 2.4 ANGSTROMS RESOLUTION

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

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)