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1anb

ANIONIC TRYPSIN MUTANT WITH SER 214 REPLACED BY GLU

Method: X-RAY DIFFRACTION D_max: 52.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1anb
deposition_date	1994-12-21
title	ANIONIC TRYPSIN MUTANT WITH SER 214 REPLACED BY GLU
keywords	TRYPSIN, ANIONIC, SERINE PROTEASE, HYDROLASE; SERINE PROTEASE
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	17.19 Å
rg_electron	16.10 Å
i0	11055200.00
molecular_weight	24112.0 kDa
excluded_volume	29858 Å³
envelope_volume	32800 Å³
shell_volume	16718 Å³
envelope_diameter	52.8 Å
shell_rg	22.53 Å
envelope_rg	16.38 Å
shape_rg	16.11 Å
total_rg	17.08 Å
total_atoms	1688
n_residues	223
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	52.8 Å
rg_real	17.07 Å
rg_real_error	0.21 Å
i0_real	1.1060e+07
i0_real_error	1.2230e+05
rg_reciprocal	17.08 Å
i0_reciprocal	11060000.0000
total_estimate	0.9009
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	22.2 Å
skewness	0.104
kurtosis	-0.471
angular_range	— – 0.4650 Å⁻¹
current_alpha	0.0000
highest_alpha	2899000.0000
n_real_points	77
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.912; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.986

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ANIONIC TRYPSIN
formula_weight	23856.9 kDa
ec_number	3.4.21.4
mutation	S214E
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1837

IVGGYTCQENSVPYQVSLNSGYHFCGGSLINDQWVVSAAHCYKSRIQVRLGEHNINVLEGNEQFVNAAKIIKHPNFDRKTLNNDIMLIKLSSPVKLNARVATVALPSSCAPAGTQCLISGWGNTLSSGVNEPDLLQCLDAPLLPQADCEASYPGKITDNMVCVGFLEGGKDSCQGDSGGPVVCNGELQGIVEWGYGCALPDNPGVYTKVCNYVDWIQDTIAAN

Source

organism	Rattus rattus
common_name	black rat
ncbi_taxonomy_id	10117
host_organism	Escherichia coli

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	BENZAMIDINE
formula_weight	120.2 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	149

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6. Citations (1)

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length_a	124.380 Å
length_b	124.380 Å
length_c	124.380 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

space_group	I 2 3
int_tables_number	197
crystal_system	—

resolution	2.800 Å
resolution_low	7.000 Å
r_factor	—
r_work	0.1670
r_free	—

fit	/app/data/saxs_computation/an/1anb/1anb.fit
pddf	/app/data/pr_computation/an/1anb/1anb.pr.out
profile	/app/data/saxs_computation/an/1anb/1anb.dat

ANIONIC TRYPSIN MUTANT WITH SER 214 REPLACED BY GLU

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