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1cvi

CRYSTAL STRUCTURE OF HUMAN PROSTATIC ACID PHOSPHATASE

Method: X-RAY DIFFRACTION D_max: 133.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cvi
deposition_date	1999-08-23
title	CRYSTAL STRUCTURE OF HUMAN PROSTATIC ACID PHOSPHATASE
keywords	ACID PHOSPHATASE, INHIBITION, 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	38.33 Å
rg_electron	38.02 Å
i0	400575000.00
molecular_weight	166810.0 kDa
excluded_volume	210160 Å³
envelope_volume	267590 Å³
shell_volume	58960 Å³
envelope_diameter	140.5 Å
shell_rg	43.70 Å
envelope_rg	37.83 Å
shape_rg	38.00 Å
total_rg	38.45 Å
total_atoms	11743
n_residues	1368
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	133.2 Å
rg_real	38.37 Å
rg_real_error	1.31 Å
i0_real	4.0060e+08
i0_real_error	7.5000e+06
rg_reciprocal	38.35 Å
i0_reciprocal	400600000.0000
total_estimate	0.8657
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	45.5 Å
skewness	0.412
kurtosis	-0.180
angular_range	— – 0.2050 Å⁻¹
current_alpha	0.0000
highest_alpha	134000000.0000
n_real_points	42
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.783; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.909

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4. Crystallography & Experiment

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5. Entities & Polymer Info (9)

Entity 1 polymer

description	PROSTATIC ACID PHOSPHATASE
formula_weight	39776.4 kDa
ec_number	3.1.3.2
src_method	nat
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	12376

KELKFVTLVFRHGDRSPIDTFPTDPIKESSWPQGFGQLTQLGMEQHYELGEYIRKRYRKFLNESYKHEQVYIRSTDVDRTLMSAMTNLAALFPPEGVSIWNPILLWQPIPVHTVPLSEDQLLYLPFRNCPRFQELESETLKSEEFQKRLHPYKDFIATLGKLSGLHGQDLFGIWSKVYDPLYCESVHNFTLPSWATEDTMTKLRELSELSLLSLYGIHKQKEKSRLQGGVLVNEILNHMKRATQIPSYKKLIMYSAHDTTVSGLQMALDVYNGLLPPYASCHLTELYFEKGEYFVEMYYRNETQHEPYPLMLPGCSPSCPLERFAELVGPVIPQDWSTECMT

Entity 2 branched

description	;2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose ;
formula_weight	1463.3 kDa
src_method	man
entity_count	1

Entity 3 branched

description	;alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ;
formula_weight	748.7 kDa
src_method	man
entity_count	1

Entity 4 branched

description	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	586.5 kDa
src_method	man
entity_count	4

Entity 5 branched

description	;alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ;
formula_weight	748.7 kDa
src_method	man
entity_count	2

Entity 6 branched

description	;alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ;
formula_weight	1073.0 kDa
src_method	man
entity_count	1

Entity 7 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	man
entity_count	3

Entity 8 non-polymer

description	GLYCINE
formula_weight	75.1 kDa
src_method	syn
entity_count	4

Entity 9 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	633

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6. Citations (3)

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length_a	126.330 Å
length_b	207.960 Å
length_c	73.020 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	3.200 Å
resolution_low	8.000 Å
r_factor	0.1570
r_work	0.1570
r_free	0.2740

fit	/app/data/saxs_computation/cv/1cvi/1cvi.fit
pddf	/app/data/pr_computation/cv/1cvi/1cvi.pr.out
profile	/app/data/saxs_computation/cv/1cvi/1cvi.dat