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1ddz

X-RAY STRUCTURE OF A BETA-CARBONIC ANHYDRASE FROM THE RED ALGA, PORPHYRIDIUM PURPUREUM R-1

Method: X-RAY DIFFRACTION D_max: 92.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ddz
deposition_date	1999-11-12
title	X-RAY STRUCTURE OF A BETA-CARBONIC ANHYDRASE FROM THE RED ALGA, PORPHYRIDIUM PURPUREUM R-1
keywords	ALPHA-BETA-ALPHA, LYASE; LYASE
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	28.52 Å
rg_electron	27.48 Å
i0	191278000.00
molecular_weight	106800.0 kDa
excluded_volume	132470 Å³
envelope_volume	154540 Å³
shell_volume	44156 Å³
envelope_diameter	98.5 Å
shell_rg	36.90 Å
envelope_rg	27.80 Å
shape_rg	27.48 Å
total_rg	28.28 Å
total_atoms	7488
n_residues	962
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	92.7 Å
rg_real	28.39 Å
rg_real_error	0.52 Å
i0_real	1.9130e+08
i0_real_error	2.7070e+06
rg_reciprocal	28.45 Å
i0_reciprocal	191300000.0000
total_estimate	0.8815
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	36.4 Å
skewness	0.212
kurtosis	-0.349
angular_range	— – 0.2800 Å⁻¹
current_alpha	0.0000
highest_alpha	74000000.0000
n_real_points	57
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.834; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.960

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	CARBONIC ANHYDRASE
formula_weight	54993.5 kDa
ec_number	4.2.1.1
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8100

VKLAAGMGVMSDLEKKFIELEAKLVAQPAGQAMPGKSNIFANNEAWRQEMLKQDPEFFNRLANGQSPEYLWIGCADSRVPANQLLDLPAGEVFVHRNIANQCIHSDISFLSVLQYAVQYLKVKHILVCGHYGCGGAKAALGDSRLGLIDNWLRHIRDVRRMNAKYLDKCKDGDEELNRLIELNVLEQVHNVCATSIVQDAWDAGQELTVQGVVYGVGDGKLRDLGVVVNSSDDISKFYRTKSDSGALKAGNPNAPLVQVTKGGESELDSTMEKLTAELVQQTPGKLKEGANRVFVNNENWRQKMLKQDPQFFSNLAHTQTPEILWIGCADSRVPANQIINLPAGEVFVHRNIANQCIHSDMSFLSVLQYAVQYLKVKRVVVCGHYACGGCAAALGDSRLGLIDNWLRHIRDVRRHNQAELSRITDPKDSLNRLIEINVLEQMHNVCATSIVQDAWDAGQELEVQGVVYGVGDGKLRDMGVVAKANDDIGQIFRTKQ

Source

organism	Porphyridium purpureum
ncbi_taxonomy_id	35688
host_organism	Escherichia coli

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	4

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	612

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6. Citations (1)

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length_a	63.500 Å
length_b	112.800 Å
length_c	73.200 Å
angle_alpha	90.00 °
angle_beta	103.60 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.200 Å
resolution_low	10.000 Å
r_factor	0.2080
r_work	0.2080
r_free	0.2740

fit	/app/data/saxs_computation/dd/1ddz/1ddz.fit
pddf	/app/data/pr_computation/dd/1ddz/1ddz.pr.out
profile	/app/data/saxs_computation/dd/1ddz/1ddz.dat

X-RAY STRUCTURE OF A BETA-CARBONIC ANHYDRASE FROM THE RED ALGA, PORPHYRIDIUM PURPUREUM R-1

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