PYRROLIDONE CARBOXYL PEPTIDASE FROM THERMOCOCCUS LITORALIS

Method: X-RAY DIFFRACTION D_max: 95.5 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a2z
deposition_date	1998-01-13
title	PYRROLIDONE CARBOXYL PEPTIDASE FROM THERMOCOCCUS LITORALIS
keywords	PEPTIDASE, N-PYROGLUTAMATE HYDROLYSIS; PEPTIDASE
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	30.46 Å
rg_electron	29.42 Å
i0	140064000.00
molecular_weight	99372.0 kDa
excluded_volume	126740 Å³
envelope_volume	148030 Å³
shell_volume	41016 Å³
envelope_diameter	97.5 Å
shell_rg	37.58 Å
envelope_rg	29.32 Å
shape_rg	29.38 Å
total_rg	30.30 Å
total_atoms	6992
n_residues	880
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	95.5 Å
rg_real	30.34 Å
rg_real_error	0.53 Å
i0_real	1.4010e+08
i0_real_error	2.0010e+06
rg_reciprocal	30.40 Å
i0_reciprocal	140100000.0000
total_estimate	0.9047
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	34.9 Å
skewness	0.199
kurtosis	-0.537
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	46670000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.936; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.949

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (1)

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length_a	91.644 Å
length_b	147.010 Å
length_c	71.553 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	1.730 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1800
r_free	0.2200

description	PYRROLIDONE CARBOXYL PEPTIDASE
formula_weight	24776.8 kDa
ec_number	3.4.19.3
src_method	man
entity_count	4

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	7666

PYRROLIDONE CARBOXYL PEPTIDASE FROM THERMOCOCCUS LITORALIS

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Thermococcus litoralis
ncbi_taxonomy_id	2265
host_organism	Escherichia coli

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	4

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	660

fit	/app/data/saxs_computation/a2/1a2z/1a2z.fit
pddf	/app/data/pr_computation/a2/1a2z/1a2z.pr.out
profile	/app/data/saxs_computation/a2/1a2z/1a2z.dat