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1ew2

CRYSTAL STRUCTURE OF A HUMAN PHOSPHATASE

Method: X-RAY DIFFRACTION D_max: 77.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ew2
deposition_date	2000-04-21
title	CRYSTAL STRUCTURE OF A HUMAN PHOSPHATASE
keywords	phosphatase, non covalent complex, 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	23.73 Å
rg_electron	22.80 Å
i0	49042600.00
molecular_weight	52372.0 kDa
excluded_volume	64691 Å³
envelope_volume	76442 Å³
shell_volume	27445 Å³
envelope_diameter	79.9 Å
shell_rg	30.49 Å
envelope_rg	23.53 Å
shape_rg	22.82 Å
total_rg	23.60 Å
total_atoms	3675
n_residues	479
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	77.7 Å
rg_real	23.66 Å
rg_real_error	0.50 Å
i0_real	4.9040e+07
i0_real_error	6.6530e+05
rg_reciprocal	23.68 Å
i0_reciprocal	49040000.0000
total_estimate	0.8866
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.1 Å
skewness	0.302
kurtosis	-0.249
angular_range	— – 0.3350 Å⁻¹
current_alpha	0.0000
highest_alpha	7150000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.850; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.971

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	PHOSPHATASE
formula_weight	55655.5 kDa
ec_number	3.1.3.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4277

IIPVEEENPDFWNREAAEALGAAKKLQPAQTAAKNLIIFLGDGMGVSTVTAARILKGQKKDKLGPEIPLAMDRFPYVALSKTYNVDKHVPDSGATATAYLCGVKGNFQTIGLSAAARFNQCNTTRGNEVISVMNRAKKAGKSVGVVTTTRVQHASPAGTYAHTVNRNWYSDADVPASARQEGCQDIATQLISNMDIDVILGGGRKYMFRMGTPDPEYPDDYSQGGTRLDGKNLVQEWLAKRQGARYVWNRTELMQASLDPSVTHLMGLFEPGDMKYEIHRDSTLDPSLMEMTEAALRLLSRNPRGFFLFVEGGRIDHGHHESRAYRALTETIMFDDAIERAGQLTSEEDTLSLVTADHSHVFSFGGYPLRGSSIFGLAPGKARDRKAYTVLLYGNGPGYVLKDGARPDVTESESGSPEYRQQSAVPLDEETHAGEDVAVFARGPQAHLVHGVQEQTFIAHVMAFAACLEPYTACDLAPPAGTTDAAHPGRSVVPALLPLLAGTLLLLETATAP

Entity 2 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	602

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6. Citations (1)

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length_a	88.800 Å
length_b	114.500 Å
length_c	106.900 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	1.820 Å
resolution_low	22.000 Å
r_factor	0.1850
r_work	0.1850
r_free	0.2420

fit	/app/data/saxs_computation/ew/1ew2/1ew2.fit
pddf	/app/data/pr_computation/ew/1ew2/1ew2.pr.out
profile	/app/data/saxs_computation/ew/1ew2/1ew2.dat