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1af2

CRYSTAL STRUCTURE OF CYTIDINE DEAMINASE COMPLEXED WITH URIDINE

Method: X-RAY DIFFRACTION D_max: 65.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1af2
deposition_date	1997-03-20
title	CRYSTAL STRUCTURE OF CYTIDINE DEAMINASE COMPLEXED WITH URIDINE
keywords	DEAMINASE, PROTON TRANSFER, STRAIN, PRODUCT RELEASE, 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	19.60 Å
rg_electron	18.57 Å
i0	17840100.00
molecular_weight	31839.0 kDa
excluded_volume	39728 Å³
envelope_volume	44663 Å³
shell_volume	19881 Å³
envelope_diameter	65.2 Å
shell_rg	25.05 Å
envelope_rg	18.81 Å
shape_rg	18.58 Å
total_rg	19.41 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	65.0 Å
rg_real	19.48 Å
rg_real_error	0.36 Å
i0_real	1.7840e+07
i0_real_error	2.0380e+05
rg_reciprocal	19.50 Å
i0_reciprocal	17840000.0000
total_estimate	0.8044
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.7 Å
skewness	0.200
kurtosis	-0.393
angular_range	— – 0.4050 Å⁻¹
current_alpha	0.0000
highest_alpha	3988000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.818; 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	2287

MHPRFQTAFAQLADNLQSALEPILADKYFPALLTGEQVSSLKSATGLDEDALAFALLPLAAACARTPLSNFNVGAIARGVSGTWYFGANMEFIGATMQQTVHAEQSAISHAWLSGEKALAAITVNYTPCGHCRQFMNELNSGLDLRIHLPGREAHALRDYLPDAFGPKDLEIKTLLMDEQDHGYALTGDALSQAAIAAANRSHMPYSKSPSGVALECKDGRIFSGSYAENAAFNPTLPPLQGALILLNLKGYDYPDIQRAVLAEKADAPLIQWDATSATLKALGCHSIDRVLLA

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	URIDINE-5'-MONOPHOSPHATE
formula_weight	324.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	49

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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	7.000 Å
r_factor	—
r_work	—
r_free	—

fit	/app/data/saxs_computation/af/1af2/1af2.fit
pddf	/app/data/pr_computation/af/1af2/1af2.pr.out
profile	/app/data/saxs_computation/af/1af2/1af2.dat

CRYSTAL STRUCTURE OF CYTIDINE DEAMINASE COMPLEXED WITH URIDINE

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