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1bzs

CRYSTAL STRUCTURE OF MMP8 COMPLEXED WITH HMR2909

Method: X-RAY DIFFRACTION D_max: 51.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bzs
deposition_date	1998-11-04
title	CRYSTAL STRUCTURE OF MMP8 COMPLEXED WITH HMR2909
keywords	METALLO PROTEINASE, HYDROXAMATE, MATRIX DEGRADATION, HYDROLASE; HYDROLASE
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	16.10 Å
rg_electron	14.66 Å
i0	7362680.00
molecular_weight	19189.0 kDa
excluded_volume	23615 Å³
envelope_volume	25789 Å³
shell_volume	14499 Å³
envelope_diameter	50.0 Å
shell_rg	20.99 Å
envelope_rg	14.97 Å
shape_rg	14.64 Å
total_rg	15.84 Å
total_atoms	1349
n_residues	165
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	51.2 Å
rg_real	15.96 Å
rg_real_error	0.22 Å
i0_real	7.3630e+06
i0_real_error	8.1270e+04
rg_reciprocal	15.98 Å
i0_reciprocal	7363000.0000
total_estimate	0.8842
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	21.4 Å
skewness	0.054
kurtosis	-0.423
angular_range	— – 0.4950 Å⁻¹
current_alpha	0.0000
highest_alpha	1538000.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.841; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.978

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	NEUTROPHIL COLLAGENASE
formula_weight	18374.0 kDa
ec_number	3.4.24.34
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1557

FMLTPGNPKWERTNLTYRIRNYTPQLSEAEVERAIKDAFELWSVASPLIFTRISQGEADINIAFYQRDHGDNSPFDGPNGILAHAFQPGQGIGGDAHFDAEETWTNTSANYNLFLVAAHEFGHSLGLAHSSDPGALMYPNYAFRETSNYSLPQDDIDGIQAIYGD

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
formula_weight	393.5 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
formula_weight	238.3 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	208

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6. Citations (1)

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length_a	33.100 Å
length_b	68.900 Å
length_c	70.500 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.700 Å
resolution_low	8.000 Å
r_factor	0.1920
r_work	0.1920
r_free	—

fit	/app/data/saxs_computation/bz/1bzs/1bzs.fit
pddf	/app/data/pr_computation/bz/1bzs/1bzs.pr.out
profile	/app/data/saxs_computation/bz/1bzs/1bzs.dat