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1ctu

TRANSITION-STATE SELECTIVITY FOR A SINGLE OH GROUP DURING CATALYSIS BY CYTIDINE DEAMINASE

Method: X-RAY DIFFRACTION D_max: 62.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ctu
deposition_date	1995-02-11
title	TRANSITION-STATE SELECTIVITY FOR A SINGLE OH GROUP DURING CATALYSIS BY CYTIDINE DEAMINASE
keywords	HYDROLASE; HYDROLASE
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	19.53 Å
rg_electron	18.53 Å
i0	17765000.00
molecular_weight	31842.0 kDa
excluded_volume	39743 Å³
envelope_volume	44185 Å³
shell_volume	19765 Å³
envelope_diameter	63.5 Å
shell_rg	24.93 Å
envelope_rg	18.73 Å
shape_rg	18.54 Å
total_rg	19.36 Å
total_atoms	2238
n_residues	294
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	62.4 Å
rg_real	19.41 Å
rg_real_error	0.36 Å
i0_real	1.7760e+07
i0_real_error	2.3860e+05
rg_reciprocal	19.43 Å
i0_reciprocal	17770000.0000
total_estimate	0.8172
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.6 Å
skewness	0.193
kurtosis	-0.406
angular_range	— – 0.4050 Å⁻¹
current_alpha	0.0000
highest_alpha	3668000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.874; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CYTIDINE DEAMINASE
formula_weight	31569.8 kDa
ec_number	3.5.4.5
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2286

MHPRFQTAFAQLADNLQSALEPILADKYFPALLTGEQVSSLKSATGLDEDALAFALLPLAAACARTPLSNFNVGAIARGVSGTWYFGANMEFIGATMQQTVHAEQSAISHAWLSGEKALAAITVNYTPCGHCRQFMNELNSGLDLRIHLPGREAHALRDYLPDAFGPKDLEIKTLLMDEQDHGYALTGDALSQAAIAAANRSHMPYSKSPSGVALECKDGRIFSGSYAENAAFNPTLPPLQGALILLNLKGYDYPDIQRAVLAEKADAPLIQWDATSATLKALGCHSIDRVLLA

Source

organism	Escherichia coli
ncbi_taxonomy_id	562

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	4-HYDROXY-3,4-DIHYDRO-ZEBULARINE
formula_weight	246.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	48

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6. Citations (1)

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length_a	120.300 Å
length_b	120.300 Å
length_c	78.400 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	2.300 Å
resolution_low	20.000 Å
r_factor	0.1900
r_work	0.1900
r_free	—

fit	/app/data/saxs_computation/ct/1ctu/1ctu.fit
pddf	/app/data/pr_computation/ct/1ctu/1ctu.pr.out
profile	/app/data/saxs_computation/ct/1ctu/1ctu.dat