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1bk9

PHOSPHOLIPASE A2 MODIFIED BY PBPB

Method: X-RAY DIFFRACTION D_max: 53.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bk9
deposition_date	1998-07-16
title	PHOSPHOLIPASE A2 MODIFIED BY PBPB
keywords	HYDROLASE, PHOSPHOLIPASE A2, PLATELET AGGREGATION INHIBITOR, PBPB; 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	15.49 Å
rg_electron	14.57 Å
i0	4568530.00
molecular_weight	14297.0 kDa
excluded_volume	17401 Å³
envelope_volume	19663 Å³
shell_volume	11718 Å³
envelope_diameter	52.7 Å
shell_rg	20.03 Å
envelope_rg	15.02 Å
shape_rg	14.57 Å
total_rg	15.60 Å
total_atoms	1199
n_residues	124
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	53.4 Å
rg_real	15.48 Å
rg_real_error	0.38 Å
i0_real	4.5690e+06
i0_real_error	5.7010e+04
rg_reciprocal	15.48 Å
i0_reciprocal	4569000.0000
total_estimate	0.8632
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	16.9 Å
skewness	0.338
kurtosis	-0.261
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	1233000.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.774; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.944; Smooth: 0.952

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PHOSPHOLIPASE A2
formula_weight	13988.8 kDa
ec_number	3.1.1.4
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1457

SLIQFETLIMKVAKKSGMFWYSNYGCYCGWGGQGRPQDATDRCCFVHDCCYGKVTGCDPKMDVYSFSEENGDIVCGGDDPCKKEICECDRAAAICFRDNLTLYNDKKYWAFGAKNCPQEESEPC

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	p-Bromophenacyl bromide
formula_weight	277.9 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	1,4-BUTANEDIOL
formula_weight	90.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	86

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6. Citations (1)

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length_a	82.820 Å
length_b	82.820 Å
length_c	32.800 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 61
int_tables_number	169
crystal_system	—

resolution	2.000 Å
resolution_low	6.000 Å
r_factor	0.1530
r_work	0.1530
r_free	0.2260

fit	/app/data/saxs_computation/bk/1bk9/1bk9.fit
pddf	/app/data/pr_computation/bk/1bk9/1bk9.pr.out
profile	/app/data/saxs_computation/bk/1bk9/1bk9.dat

PHOSPHOLIPASE A2 MODIFIED BY PBPB

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