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1d1g

DIHYDROFOLATE REDUCTASE FROM THERMOTOGA MARITIMA

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	1d1g
deposition_date	1999-09-16
title	DIHYDROFOLATE REDUCTASE FROM THERMOTOGA MARITIMA
keywords	DIMER, HYPERTHERMOPHILE, 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	22.78 Å
rg_electron	21.83 Å
i0	25755300.00
molecular_weight	39825.0 kDa
excluded_volume	50283 Å³
envelope_volume	57255 Å³
shell_volume	22545 Å³
envelope_diameter	84.5 Å
shell_rg	28.23 Å
envelope_rg	22.18 Å
shape_rg	21.81 Å
total_rg	22.72 Å
total_atoms	2810
n_residues	328
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	22.86 Å
rg_real_error	0.57 Å
i0_real	2.5760e+07
i0_real_error	2.7930e+05
rg_reciprocal	22.84 Å
i0_reciprocal	25760000.0000
total_estimate	0.7734
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.3 Å
skewness	0.507
kurtosis	-0.096
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	6563000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.700; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.953; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	DIHYDROFOLATE REDUCTASE
formula_weight	19263.3 kDa
ec_number	1.5.1.3
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	2968

AKVIFVLAMDVSGKIASSVESWSSFEDRKNFRKITTEIGNVVMGRITFEEIGRPLPERLNVVLTRRPKTSNNPSLVFFNGSPADVVKFLEGKGYERVAVIGGKTVFTEFLREKLVDELFVTVEPYVFGKGIPFFDEFEGYFPLKLLEMRRLNERGTLFLKYSVEKSHR

Source

organism	Thermotoga maritima
ncbi_taxonomy_id	2336
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 non-polymer

description	METHOTREXATE
formula_weight	454.4 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	158

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6. Citations (1)

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length_a	35.525 Å
length_b	51.419 Å
length_c	52.961 Å
angle_alpha	94.50 °
angle_beta	95.31 °
angle_gamma	110.15 °
z_pdb	2

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.100 Å
resolution_low	20.000 Å
r_factor	0.1960
r_work	0.1960
r_free	0.2420

fit	/app/data/saxs_computation/d1/1d1g/1d1g.fit
pddf	/app/data/pr_computation/d1/1d1g/1d1g.pr.out
profile	/app/data/saxs_computation/d1/1d1g/1d1g.dat

DIHYDROFOLATE REDUCTASE FROM THERMOTOGA MARITIMA

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