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9scy

The R90H clinical variant of human bisphosphoglycerate mutase (hBPGM)

Method: X-RAY DIFFRACTION D_max: 152.4 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9scy
deposition_date	2025-08-12
last_revision	2026-03-18
title	The R90H clinical variant of human bisphosphoglycerate mutase (hBPGM)
keywords	Human bisphosphoglycerate mutase (hBPGM), ISOMERASE; ISOMERASE
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	43.43 Å
rg_electron	43.66 Å
i0	204205000.00
molecular_weight	116180.0 kDa
excluded_volume	145100 Å³
envelope_volume	194100 Å³
shell_volume	39082 Å³
envelope_diameter	158.9 Å
shell_rg	45.09 Å
envelope_rg	42.98 Å
shape_rg	43.65 Å
total_rg	43.77 Å
total_atoms	8201
n_residues	996
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	152.4 Å
rg_real	43.97 Å
rg_real_error	1.88 Å
i0_real	2.0420e+08
i0_real_error	4.1590e+06
rg_reciprocal	43.44 Å
i0_reciprocal	204100000.0000
total_estimate	0.7456
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	29.6 Å
skewness	0.523
kurtosis	-0.498
angular_range	— – 0.1800 Å⁻¹
current_alpha	0.0000
highest_alpha	17870000.0000
n_real_points	37
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.572; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.402; Smooth: 0.570

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Bisphosphoglycerate mutase
formula_weight	31099.3 kDa
ec_number	5.4.2.4,5.4.2.11
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	8899

MSKYKLIMLRHGEGAWNKENRFCSWVDQKLNSEGMEEARNCGKQLKALNFEFDLVFTSVLNRSIHTAWLILEELGQEWVPVESSWRLNEHHYGALIGLNREQMALNHGEEQVRLWRRSYNVTPPPIEESHPYYQEIYNDRRYKVCDVPLDQLPRSESLKDVLERLLPYWNERIAPEVLRGKTILISAHGNSSRALLKHLEGISDEDIINITLPTGVPILLELDENLRAVGPHQFLGDQEAIQAAIKKVEDQGKVKQAKKLEHHHHHH

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	CITRIC ACID
formula_weight	192.1 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	362

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6. Citations (1)

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length_a	38.537 Å
length_b	47.654 Å
length_c	145.110 Å
angle_alpha	87.87 °
angle_beta	83.15 °
angle_gamma	84.70 °
z_pdb	4

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.000 Å
resolution_low	72.010 Å
r_factor	0.1949
r_work	0.1933
r_free	0.2245

fit	/app/data/saxs_computation/sc/9scy/9scy.fit
pddf	/app/data/pr_computation/sc/9scy/9scy.pr.out
profile	/app/data/saxs_computation/sc/9scy/9scy.dat

The R90H clinical variant of human bisphosphoglycerate mutase (hBPGM)

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