STRUCTURE OF MODIFIED 3-ISOPROPYLMALATE DEHYDROGENASE AT THE C-TERMINUS, HD708

Method: X-RAY DIFFRACTION D_max: 89.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dr0
deposition_date	2000-01-06
title	STRUCTURE OF MODIFIED 3-ISOPROPYLMALATE DEHYDROGENASE AT THE C-TERMINUS, HD708
keywords	dehydrogenase, minor groove, paperclip motion, 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	27.67 Å
rg_electron	26.88 Å
i0	83198100.00
molecular_weight	73529.0 kDa
excluded_volume	92933 Å³
envelope_volume	109990 Å³
shell_volume	34154 Å³
envelope_diameter	91.5 Å
shell_rg	34.54 Å
envelope_rg	26.76 Å
shape_rg	26.88 Å
total_rg	27.66 Å
total_atoms	5188
n_residues	692
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	89.7 Å
rg_real	27.63 Å
rg_real_error	0.58 Å
i0_real	8.3200e+07
i0_real_error	1.2840e+06
rg_reciprocal	27.64 Å
i0_reciprocal	83200000.0000
total_estimate	0.8858
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	34.6 Å
skewness	0.346
kurtosis	-0.292
angular_range	— – 0.2850 Å⁻¹
current_alpha	0.0000
highest_alpha	31010000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.856; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.944

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	55.620 Å
length_b	84.310 Å
length_c	72.280 Å
angle_alpha	90.00 °
angle_beta	103.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.200 Å
resolution_low	7.990 Å
r_factor	0.2490
r_work	0.2490
r_free	0.3080

description	3-ISOPROPYLMALATE DEHYDROGENASE
formula_weight	36817.1 kDa
ec_number	1.1.1.85
src_method	man
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	5331

STRUCTURE OF MODIFIED 3-ISOPROPYLMALATE DEHYDROGENASE AT THE C-TERMINUS, HD708

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 (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Thermus thermophilus
ncbi_taxonomy_id	300852
host_organism	Escherichia coli BL21(DE3)

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	143

fit	/app/data/saxs_computation/dr/1dr0/1dr0.fit
pddf	/app/data/pr_computation/dr/1dr0/1dr0.pr.out
profile	/app/data/saxs_computation/dr/1dr0/1dr0.dat