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1ezr

CRYSTAL STRUCTURE OF NUCLEOSIDE HYDROLASE FROM LEISHMANIA MAJOR

Method: X-RAY DIFFRACTION D_max: 108.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ezr
deposition_date	2000-05-11
title	CRYSTAL STRUCTURE OF NUCLEOSIDE HYDROLASE FROM LEISHMANIA MAJOR
keywords	alpha/beta fold, 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	35.41 Å
rg_electron	34.89 Å
i0	256165000.00
molecular_weight	133040.0 kDa
excluded_volume	168170 Å³
envelope_volume	210030 Å³
shell_volume	48677 Å³
envelope_diameter	105.8 Å
shell_rg	42.74 Å
envelope_rg	34.43 Å
shape_rg	34.90 Å
total_rg	35.39 Å
total_atoms	9344
n_residues	1248
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	108.1 Å
rg_real	35.26 Å
rg_real_error	0.59 Å
i0_real	2.5620e+08
i0_real_error	3.4390e+06
rg_reciprocal	35.36 Å
i0_reciprocal	256200000.0000
total_estimate	0.8373
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	48.0 Å
skewness	0.095
kurtosis	-0.704
angular_range	— – 0.2250 Å⁻¹
current_alpha	0.0000
highest_alpha	169100000.0000
n_real_points	46
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.961; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	NUCLEOSIDE HYDROLASE
formula_weight	34306.6 kDa
ec_number	3.2.2.1
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	9444

MPRKIILDCDPGIDDAVAIFLAHGNPEIELLAITTVVGNQSLEKVTQNARLVADVAGIVGVPVAAGCTKPLVRGVRNASHIHGETGMGNVSYPPEFKTKLDGRHAVQLIIDLIMSHEPKTITLVPTGGLTNIAMAVRLEPRIVDRVKEVVLMGGGYHTGNASPVAEFNVFIDPEAAHIVFNESWNVTMVGLDLTHLALATPAVQKRVREVGTKPAAFMLQILDFYTKVYEKEHDTYGKVHDPCAVAYVIDPTVMTTERVPVDIELNGALTTGMTVADFRYPRPKNCRTQVAVKLDFDKFWCLVIDALERIGDPQ

Source

organism	Leishmania major
ncbi_taxonomy_id	5664
host_organism	Escherichia coli

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	4

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	100

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6. Citations (1)

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length_a	81.800 Å
length_b	79.200 Å
length_c	109.800 Å
angle_alpha	90.00 °
angle_beta	91.60 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.500 Å
resolution_low	20.000 Å
r_factor	0.2050
r_work	0.2030
r_free	0.2550

fit	/app/data/saxs_computation/ez/1ezr/1ezr.fit
pddf	/app/data/pr_computation/ez/1ezr/1ezr.pr.out
profile	/app/data/saxs_computation/ez/1ezr/1ezr.dat

CRYSTAL STRUCTURE OF NUCLEOSIDE HYDROLASE FROM LEISHMANIA MAJOR

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