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1a4i

HUMAN TETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE

Method: X-RAY DIFFRACTION D_max: 79.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a4i
deposition_date	1998-01-30
title	HUMAN TETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE
keywords	THF, BIFUNCTIONAL, DEHYDROGENASE, CYCLOHYDROLASE, FOLATE, OXIDOREDUCTASE; OXIDOREDUCTASE
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	26.28 Å
rg_electron	25.46 Å
i0	69862500.00
molecular_weight	64180.0 kDa
excluded_volume	80099 Å³
envelope_volume	97180 Å³
shell_volume	31193 Å³
envelope_diameter	83.1 Å
shell_rg	33.39 Å
envelope_rg	25.68 Å
shape_rg	25.49 Å
total_rg	26.20 Å
total_atoms	4492
n_residues	580
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	79.5 Å
rg_real	26.17 Å
rg_real_error	0.50 Å
i0_real	6.9860e+07
i0_real_error	9.2990e+05
rg_reciprocal	26.21 Å
i0_reciprocal	69860000.0000
total_estimate	0.8983
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	27.8 Å
skewness	0.207
kurtosis	-0.505
angular_range	— – 0.3000 Å⁻¹
current_alpha	0.0000
highest_alpha	10580000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.942; Stabil: 0.989; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.883

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	METHYLENETETRAHYDROFOLATE DEHYDROGENASE / METHENYLTETRAHYDROFOLATE CYCLOHYDROLASE
formula_weight	32650.5 kDa
ec_number	1.5.1.5, 3.5.4.9
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4899

MAPAEILNGKEISAQIRARLKNQVTQLKEQVPGFTPRLAILQVGNRDDSNLYINVKLKAAEEIGIKATHIKLPRTTTESEVMKYITSLNEDSTVHGFLVQLPLDSENSINTEEVINAIAPEKDVDGLTSINAGRLARGDLNDCFIPCTPKGCLELIKETGVPIAGRHAVVVGRSKIVGAPMHDLLLWNNATVTTCHSKTAHLDEEVNKGDILVVATGQPEMVKGEWIKPGAIVIDCGINYVPDDKKPNGRKVVGDVAYDEAKERASFITPVPGGVGPMTVAMLMQSTVESAKRFLEKFKPG

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
formula_weight	745.4 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	407

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6. Citations (1)

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length_a	67.523 Å
length_b	135.843 Å
length_c	61.403 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.500 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1990
r_free	0.2350

fit	/app/data/saxs_computation/a4/1a4i/1a4i.fit
pddf	/app/data/pr_computation/a4/1a4i/1a4i.pr.out
profile	/app/data/saxs_computation/a4/1a4i/1a4i.dat

HUMAN TETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE

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