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9pwm

Dihydrofolate Reductase Complexed with Folate and Nicotinamide Adenine Dinucleotide Phosphate (Oxidized Form)

Method: X-RAY DIFFRACTION D_max: 50.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9pwm
deposition_date	2025-08-04
last_revision	2026-01-21
title	Dihydrofolate Reductase Complexed with Folate and Nicotinamide Adenine Dinucleotide Phosphate (Oxidized Form)
keywords	wild-type, folate, DHFR, NADP+, 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	16.61 Å
rg_electron	15.18 Å
i0	8083190.00
molecular_weight	19608.0 kDa
excluded_volume	23862 Å³
envelope_volume	26360 Å³
shell_volume	14528 Å³
envelope_diameter	51.5 Å
shell_rg	21.27 Å
envelope_rg	15.52 Å
shape_rg	15.12 Å
total_rg	16.37 Å
total_atoms	1358
n_residues	158
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	50.2 Å
rg_real	16.48 Å
rg_real_error	0.27 Å
i0_real	8.0830e+06
i0_real_error	9.4180e+04
rg_reciprocal	16.50 Å
i0_reciprocal	8083000.0000
total_estimate	0.8265
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	21.5 Å
skewness	0.114
kurtosis	-0.441
angular_range	— – 0.4800 Å⁻¹
current_alpha	0.0000
highest_alpha	1563000.0000
n_real_points	78
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.921; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Dihydrofolate reductase
formula_weight	18067.3 kDa
ec_number	1.5.1.3
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1695

MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTDDRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
formula_weight	743.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	FOLIC ACID
formula_weight	441.4 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	7

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	274

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6. Citations (1)

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length_a	33.880 Å
length_b	44.860 Å
length_c	98.550 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	0.890 Å
resolution_low	27.920 Å
r_factor	0.1461
r_work	0.1456
r_free	0.1560

fit	/app/data/saxs_computation/pw/9pwm/9pwm.fit
pddf	/app/data/pr_computation/pw/9pwm/9pwm.pr.out
profile	/app/data/saxs_computation/pw/9pwm/9pwm.dat