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1ezf

CRYSTAL STRUCTURE OF HUMAN SQUALENE SYNTHASE

Method: X-RAY DIFFRACTION D_max: 100.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ezf
deposition_date	2000-05-10
title	CRYSTAL STRUCTURE OF HUMAN SQUALENE SYNTHASE
keywords	isoprenoid synthase fold, all alpha-helix, TRANSFERASE; TRANSFERASE
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	33.18 Å
rg_electron	32.26 Å
i0	196186000.00
molecular_weight	113080.0 kDa
excluded_volume	141670 Å³
envelope_volume	172420 Å³
shell_volume	43198 Å³
envelope_diameter	102.3 Å
shell_rg	40.40 Å
envelope_rg	31.82 Å
shape_rg	32.27 Å
total_rg	32.82 Å
total_atoms	7954
n_residues	967
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	100.3 Å
rg_real	32.97 Å
rg_real_error	0.68 Å
i0_real	1.9620e+08
i0_real_error	2.8640e+06
rg_reciprocal	33.06 Å
i0_reciprocal	196200000.0000
total_estimate	0.9140
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	43.9 Å
skewness	0.069
kurtosis	-0.707
angular_range	— – 0.2400 Å⁻¹
current_alpha	0.0000
highest_alpha	46660000.0000
n_real_points	49
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.971; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.966

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	FARNESYL-DIPHOSPHATE FARNESYLTRANSFERASE
formula_weight	39221.8 kDa
ec_number	2.5.1.21
mutation	Q33R, D34N, S38N
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	8364

MDRNSLSNSLKTCYKYLNQTSRSFAAVIQALDGEMRNAVCIFYLVLRALDTLEDDMTISVEKKVPLLHNFHSFLYQPDWRFMESKEKDRQVLEDFPTISLEFRNLAEKYQTVIADICRRMGIGMAEFLDKHVTSEQEWDKYCHYVAGLVGIGLSRLFSASEFEDPLVGEDTERANSMGLFLQKTNIIRDYLEDQQGGREFWPQEVWSRYVKKLGDFAKPENIDLAVQCLNELITNALHHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNQQVFKGAVKIRKGQAVTLMMDATNMPAVKAIIYQYMEEIYHRIPDSDPSSSKTRQIISTIRTQN

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	;N-{2-[TRANS-7-CHLORO-1-(2,2-DIMETHYL-PROPYL) -5-NAPHTHALEN-1-YL-2-OXO-1,2,3,5-TETRAHYDRO-BENZO[E] [1,4]OXAZEPIN-3-YL]-ACETYL}-ASPARTIC ACID ;
formula_weight	567.0 kDa
src_method	syn
entity_count	3

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	410

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6. Citations (1)

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length_a	76.760 Å
length_b	87.920 Å
length_c	154.170 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	12

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.150 Å
resolution_low	40.000 Å
r_factor	—
r_work	0.2130
r_free	0.2620

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

CRYSTAL STRUCTURE OF HUMAN SQUALENE SYNTHASE

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