CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE

Method: X-RAY DIFFRACTION D_max: 83.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ai9
deposition_date	1997-05-01
title	CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE
keywords	OXIDOREDUCTASE, ANTIFUNGAL TARGET, REDUCTASE; 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	25.63 Å
rg_electron	24.87 Å
i0	34458800.00
molecular_weight	45822.0 kDa
excluded_volume	57669 Å³
envelope_volume	70705 Å³
shell_volume	24478 Å³
envelope_diameter	85.5 Å
shell_rg	31.16 Å
envelope_rg	24.93 Å
shape_rg	24.89 Å
total_rg	25.58 Å
total_atoms	3224
n_residues	384
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	83.9 Å
rg_real	25.69 Å
rg_real_error	0.62 Å
i0_real	3.4460e+07
i0_real_error	5.0670e+05
rg_reciprocal	25.67 Å
i0_reciprocal	34460000.0000
total_estimate	0.8840
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.1 Å
skewness	0.403
kurtosis	-0.445
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	5941000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.845; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.971; Smooth: 0.981

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (2)

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length_a	77.200 Å
length_b	67.570 Å
length_c	38.660 Å
angle_alpha	90.00 °
angle_beta	93.06 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.850 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.1990
r_free	—

description	DIHYDROFOLATE REDUCTASE
formula_weight	22194.5 kDa
ec_number	1.5.1.3
src_method	man
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	3452

CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

Entity 3 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Candida albicans
ncbi_taxonomy_id	5476
host_organism	Escherichia coli BL21(DE3)

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

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	160

fit	/app/data/saxs_computation/ai/1ai9/1ai9.fit
pddf	/app/data/pr_computation/ai/1ai9/1ai9.pr.out
profile	/app/data/saxs_computation/ai/1ai9/1ai9.dat