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1dv2

The structure of biotin carboxylase, mutant E288K, complexed with ATP

Method: X-RAY DIFFRACTION D_max: 116.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dv2
deposition_date	2000-01-19
title	The structure of biotin carboxylase, mutant E288K, complexed with ATP
keywords	ATP-grasp biotin-dependent carboxylase, LIGASE; LIGASE
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	31.31 Å
rg_electron	30.78 Å
i0	161788000.00
molecular_weight	99524.0 kDa
excluded_volume	123950 Å³
envelope_volume	149490 Å³
shell_volume	40987 Å³
envelope_diameter	123.4 Å
shell_rg	37.26 Å
envelope_rg	31.05 Å
shape_rg	30.75 Å
total_rg	31.40 Å
total_atoms	6976
n_residues	898
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	116.3 Å
rg_real	31.47 Å
rg_real_error	1.34 Å
i0_real	1.6180e+08
i0_real_error	2.7360e+06
rg_reciprocal	31.40 Å
i0_reciprocal	161800000.0000
total_estimate	0.8087
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	34.2 Å
skewness	0.567
kurtosis	0.078
angular_range	— – 0.2550 Å⁻¹
current_alpha	0.0000
highest_alpha	54530000.0000
n_real_points	52
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.578; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.796; Smooth: 0.981

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	BIOTIN CARBOXYLASE
formula_weight	49669.0 kDa
ec_number	6.3.4.14
mutation	E288K
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7113

GSHMLDKIVIANRGEIALRILRACKELGIKTVAVHSSADRDLKHVLLADETVCIGPAPSVKSYLNIPAIISAAEITGAVAIHPGYGFLSENANFAEQVERSGFIFIGPKAETIRLMGDKVSAIAAMKKAGVPCVPGSDGPLGDDMDKNRAIAKRIGYPVIIKASGGGGGRGMRVVRGDAELAQSISMTRAEAKAAFSNDMVYMEKYLENPRHVEIQVLADGQGNAIYLAERDCSMQRRHQKVVEEAPAPGITPELRRYIGERCAKACVDIGYRGAGTFEFLFENGEFYFIKMNTRIQVEHPVTEMITGVDLIKEQLRIAAGQPLSIKQEEVHVRGHAVECRINAEDPNTFLPSPGKITRFHAPGGFGVRWESHIYAGYTVPPYYDSMIGKLICYGENRDVAIARMKNALQELIIDGIKTNVDLQIRIMNDENFQHGGTNIHYLEKKLGLQEK

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	ADENOSINE-5'-TRIPHOSPHATE
formula_weight	507.2 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	130

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6. Citations (1)

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length_a	81.300 Å
length_b	115.500 Å
length_c	122.400 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	2.500 Å
resolution_low	30.000 Å
r_factor	0.1720
r_work	0.1710
r_free	0.2030

fit	/app/data/saxs_computation/dv/1dv2/1dv2.fit
pddf	/app/data/pr_computation/dv/1dv2/1dv2.pr.out
profile	/app/data/saxs_computation/dv/1dv2/1dv2.dat

The structure of biotin carboxylase, mutant E288K, complexed with ATP

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