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1ba3

FIREFLY LUCIFERASE IN COMPLEX WITH BROMOFORM

Method: X-RAY DIFFRACTION D_max: 84.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ba3
deposition_date	1998-04-21
title	FIREFLY LUCIFERASE IN COMPLEX WITH BROMOFORM
keywords	OXIDOREDUCTASE, MONOOXYGENASE, PHOTOPROTEIN, LUMINESCENCE; 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	25.35 Å
rg_electron	24.51 Å
i0	54438500.00
molecular_weight	59026.0 kDa
excluded_volume	74403 Å³
envelope_volume	88240 Å³
shell_volume	29876 Å³
envelope_diameter	88.2 Å
shell_rg	31.85 Å
envelope_rg	24.54 Å
shape_rg	24.55 Å
total_rg	25.17 Å
total_atoms	4138
n_residues	540
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	84.2 Å
rg_real	25.28 Å
rg_real_error	0.65 Å
i0_real	5.4440e+07
i0_real_error	7.0330e+05
rg_reciprocal	25.30 Å
i0_reciprocal	54440000.0000
total_estimate	0.8872
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.7 Å
skewness	0.270
kurtosis	-0.327
angular_range	— – 0.3150 Å⁻¹
current_alpha	0.0000
highest_alpha	11250000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.851; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.990

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	LUCIFERASE
formula_weight	60819.0 kDa
ec_number	1.13.12.7
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4491

MEDAKNIKKGPAPFYPLEDGTAGEQLHKAMKRYALVPGTIAFTDAHIEVNITYAEYFEMSVRLAEAMKRYGLNTNHRIVVCSENSLQFFMPVLGALFIGVAVAPANDIYNERELLNSMNISQPTVVFVSKKGLQKILNVQKKLPIIQKIIIMDSKTDYQGFQSMYTFVTSHLPPGFNEYDFVPESFDRDKTIALIMNSSGSTGLPKGVALPHRTACVRFSHARDPIFGNQIIPDTAILSVVPFHHGFGMFTTLGYLICGFRVVLMYRFEEELFLRSLQDYKIQSALLVPTLFSFFAKSTLIDKYDLSNLHEIASGGAPLSKEVGEAVAKRFHLPGIRQGYGLTETTSAILITPEGDDKPGAVGKVVPFFEAKVVDLDTGKTLGVNQRGELCVRGPMIMSGYVNNPEATNALIDKDGWLHSGDIAYWDEDEHFFIVDRLKSLIKYKGYQVAPAELESILLQHPNIFDAGVAGLPDDDAGELPAAVVVLEHGKTMTEKEIVDYVASQVTTAKKLRGGVVFVDEVPKGLTGKLDARKIREILIKAKKGGKSKL

Source

organism	Photinus pyralis
common_name	common eastern firefly
ncbi_taxonomy_id	7054
host_organism	Escherichia coli

Entity 2 non-polymer

description	TRIBROMOMETHANE
formula_weight	252.7 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	353

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6. Citations (4)

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length_a	119.560 Å
length_b	119.560 Å
length_c	95.800 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	2.200 Å
resolution_low	18.400 Å
r_factor	0.1970
r_work	0.1970
r_free	0.2390

fit	/app/data/saxs_computation/ba/1ba3/1ba3.fit
pddf	/app/data/pr_computation/ba/1ba3/1ba3.pr.out
profile	/app/data/saxs_computation/ba/1ba3/1ba3.dat

FIREFLY LUCIFERASE IN COMPLEX WITH BROMOFORM

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