STRUCTURAL CONSEQUENCES OF REDESIGNING A PROTEIN-ZINC BINDING SITE

Method: X-RAY DIFFRACTION D_max: 53.1 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cve
deposition_date	1994-06-21
title	STRUCTURAL CONSEQUENCES OF REDESIGNING A PROTEIN-ZINC BINDING SITE
keywords	LYASE(OXO-ACID); LYASE(OXO-ACID)
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	18.66 Å
rg_electron	17.36 Å
i0	14078300.00
molecular_weight	28649.0 kDa
excluded_volume	36005 Å³
envelope_volume	40239 Å³
shell_volume	18915 Å³
envelope_diameter	59.5 Å
shell_rg	24.04 Å
envelope_rg	17.63 Å
shape_rg	17.34 Å
total_rg	18.44 Å
total_atoms	2028
n_residues	255
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	53.1 Å
rg_real	18.45 Å
rg_real_error	0.06 Å
i0_real	1.3550e+07
i0_real_error	1.1910e+05
rg_reciprocal	18.54 Å
i0_reciprocal	14080000.0000
total_estimate	0.7077
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	24.0 Å
skewness	0.042
kurtosis	-0.495
angular_range	— – 0.4250 Å⁻¹
current_alpha	11.2400
highest_alpha	2023000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.974; Stabil: 0.911; Sysdev: 0.000; Positv: 1.000; Valcen: 0.976; Smooth: 0.581

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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	42.700 Å
length_b	41.700 Å
length_c	73.000 Å
angle_alpha	90.00 °
angle_beta	104.60 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.250 Å
resolution_low	7.000 Å
r_factor	0.1820
r_work	—
r_free	—

description	CARBONIC ANHYDRASE II
formula_weight	29134.8 kDa
ec_number	4.2.1.1
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	2157

STRUCTURAL CONSEQUENCES OF REDESIGNING A PROTEIN-ZINC BINDING SITE

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

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)

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	129

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

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606