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1b5t

ESCHERICHIA COLI METHYLENETETRAHYDROFOLATE REDUCTASE

Method: X-RAY DIFFRACTION D_max: 113.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b5t
deposition_date	1999-01-07
title	ESCHERICHIA COLI METHYLENETETRAHYDROFOLATE REDUCTASE
keywords	BETA ALPHA BARREL, REDUCTASE, OXIDOREDUCTASE; 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	34.56 Å
rg_electron	34.23 Å
i0	136458000.00
molecular_weight	91185.0 kDa
excluded_volume	112730 Å³
envelope_volume	147520 Å³
shell_volume	36169 Å³
envelope_diameter	115.3 Å
shell_rg	40.27 Å
envelope_rg	34.01 Å
shape_rg	34.26 Å
total_rg	34.58 Å
total_atoms	6380
n_residues	816
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	113.2 Å
rg_real	34.57 Å
rg_real_error	1.05 Å
i0_real	1.3650e+08
i0_real_error	2.4710e+06
rg_reciprocal	34.57 Å
i0_reciprocal	136500000.0000
total_estimate	0.8865
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	110.7 Å
skewness	0.252
kurtosis	-0.599
angular_range	— – 0.2300 Å⁻¹
current_alpha	0.0000
highest_alpha	23610000.0000
n_real_points	47
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.900; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.977; Smooth: 0.844

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (METHYLENETETRAHYDROFOLATE REDUCTASE)
formula_weight	30782.1 kDa
ec_number	1.7.99.5
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	6564

GQINVSFEFFPPRTSEMEQTLWNSIDRLSSLKPKFVSVTYGANSGERDRTHSIIKGIKDRTGLEAAPHLTCIDATPDELRTIARDYWNNGIRHIVALRGDLPPGSGKPEMYASDLVTLLKEVADFDISVAAYPEVHPEAKSAQADLLNLKRKVDAGANRAITQFFFDVESYLRFRDRCVSAGIDVEIIPGILPVSNFKQAKKFADMTNVRIPAWMAQMFDGLDDDAETRKLVGANIAMDMVKILSREGVKDFHFYTLNRAEMSYAICHTLGVRPA

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	MERCURY (II) ION
formula_weight	200.6 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	FLAVIN-ADENINE DINUCLEOTIDE
formula_weight	785.5 kDa
src_method	syn
entity_count	3

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	184

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6. Citations (1)

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length_a	103.000 Å
length_b	128.200 Å
length_c	98.200 Å
angle_alpha	90.00 °
angle_beta	121.60 °
angle_gamma	90.00 °
z_pdb	12

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.500 Å
resolution_low	20.000 Å
r_factor	0.2120
r_work	0.2120
r_free	0.2630

fit	/app/data/saxs_computation/b5/1b5t/1b5t.fit
pddf	/app/data/pr_computation/b5/1b5t/1b5t.pr.out
profile	/app/data/saxs_computation/b5/1b5t/1b5t.dat

ESCHERICHIA COLI METHYLENETETRAHYDROFOLATE REDUCTASE

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