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1and

ANIONIC TRYPSIN MUTANT WITH ARG 96 REPLACED BY HIS

Method: X-RAY DIFFRACTION D_max: 51.6 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1and
deposition_date	1994-12-21
title	ANIONIC TRYPSIN MUTANT WITH ARG 96 REPLACED BY HIS
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	17.20 Å
rg_electron	16.12 Å
i0	11035900.00
molecular_weight	23938.0 kDa
excluded_volume	29582 Å³
envelope_volume	32544 Å³
shell_volume	16644 Å³
envelope_diameter	51.3 Å
shell_rg	22.42 Å
envelope_rg	16.32 Å
shape_rg	16.13 Å
total_rg	17.07 Å
total_atoms	1674
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	51.6 Å
rg_real	17.07 Å
rg_real_error	0.23 Å
i0_real	1.1040e+07
i0_real_error	1.1220e+05
rg_reciprocal	17.09 Å
i0_reciprocal	11040000.0000
total_estimate	0.9057
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	22.4 Å
skewness	0.090
kurtosis	-0.484
angular_range	— – 0.4650 Å⁻¹
current_alpha	0.0000
highest_alpha	3038000.0000
n_real_points	77
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.933; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.981; Smooth: 0.991

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ANIONIC TRYPSIN
formula_weight	23795.8 kDa
ec_number	3.4.21.4
mutation	R96H
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1812

IVGGYTCQENSVPYQVSLNSGYHFCGGSLINDQWVVSAAHCYKSRIQVRLGEHNINVLEGNEQFVNAAKIIKHPNFDHKTLNNDIMLIKLSSPVKLNARVATVALPSSCAPAGTQCLISGWGNTLSSGVNEPDLLQCLDAPLLPQADCEASYPGKITDNMVCVGFLEGGKDSCQGDSGGPVVCNGELQGIVSWGYGCALPDNPGVYTKVCNYVDWIQDTIAAN

Source

organism	Rattus rattus
common_name	black rat
ncbi_taxonomy_id	10117
host_organism	Escherichia coli

Entity 2 non-polymer

description	COPPER (II) ION
formula_weight	63.5 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	BENZAMIDINE
formula_weight	120.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	138

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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	2.300 Å
resolution_low	7.000 Å
r_factor	0.1610
r_work	0.1610
r_free	—

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

ANIONIC TRYPSIN MUTANT WITH ARG 96 REPLACED BY HIS

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