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1cia

REPLACEMENT OF CATALYTIC HISTIDINE-195 OF CHLORAMPHENICOL ACETYLTRANSFERASE: EVIDENCE FOR A GENERAL BASE ROLE FOR GLUTAMATE

Method: X-RAY DIFFRACTION D_max: 59.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cia
deposition_date	1993-07-19
title	REPLACEMENT OF CATALYTIC HISTIDINE-195 OF CHLORAMPHENICOL ACETYLTRANSFERASE: EVIDENCE FOR A GENERAL BASE ROLE FOR GLUTAMATE
keywords	TRANSFERASE(ACYLTRANSFERASE); TRANSFERASE(ACYLTRANSFERASE)
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	18.59 Å
rg_electron	17.41 Å
i0	9749590.00
molecular_weight	23995.0 kDa
excluded_volume	30323 Å³
envelope_volume	34769 Å³
shell_volume	16929 Å³
envelope_diameter	57.8 Å
shell_rg	23.31 Å
envelope_rg	17.62 Å
shape_rg	17.43 Å
total_rg	18.37 Å
total_atoms	1691
n_residues	213
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	59.4 Å
rg_real	18.49 Å
rg_real_error	0.25 Å
i0_real	9.7500e+06
i0_real_error	1.1550e+05
rg_reciprocal	18.50 Å
i0_reciprocal	9750000.0000
total_estimate	0.8970
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	23.6 Å
skewness	0.166
kurtosis	-0.404
angular_range	— – 0.4300 Å⁻¹
current_alpha	0.0001
highest_alpha	1563000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.889; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.993

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CHLORAMPHENICOL ACETYLTRANSFERASE
formula_weight	25011.5 kDa
ec_number	2.3.1.28
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1815

MNYTKFDVKNWVRREHFEFYRHRLPCGFSLTSKIDITTLKKSLDDSAYKFYPVMIYLIAQAVNQFDELRMAIKDDELIVWDSVDPQFTVFHQETETFSALSCPYSSDIDQFMVNYLSVMERYKSDTKLFPQGVTPENHLNISALPWVNFDSFNLNVANFTDYFAPIITMAKYQQEGDRLLLPLSVQVHQAVCDGFHVARFINRLQELCNSKLK

Source

organism	Escherichia coli
ncbi_taxonomy_id	562

Entity 2 non-polymer

description	COBALT (II) ION
formula_weight	58.9 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	BETA-MERCAPTOETHANOL
formula_weight	78.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	124

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6. Citations (2)

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length_a	107.640 Å
length_b	107.640 Å
length_c	124.130 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	18

space_group	H 3 2
int_tables_number	155
crystal_system	—

resolution	2.500 Å
resolution_low	6.000 Å
r_factor	0.1310
r_work	—
r_free	—

fit	/app/data/saxs_computation/ci/1cia/1cia.fit
pddf	/app/data/pr_computation/ci/1cia/1cia.pr.out
profile	/app/data/saxs_computation/ci/1cia/1cia.dat