STRUCTURE OF MODIFIED 3-ISOPROPYLMALATE DEHYDROGENASE AT THE C-TERMINUS, HD177

Method: X-RAY DIFFRACTION D_max: 89.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dr8
deposition_date	2000-01-06
title	STRUCTURE OF MODIFIED 3-ISOPROPYLMALATE DEHYDROGENASE AT THE C-TERMINUS, HD177
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	27.42 Å
rg_electron	26.60 Å
i0	82622500.00
molecular_weight	73160.0 kDa
excluded_volume	92426 Å³
envelope_volume	108760 Å³
shell_volume	34026 Å³
envelope_diameter	91.4 Å
shell_rg	34.31 Å
envelope_rg	26.50 Å
shape_rg	26.60 Å
total_rg	27.41 Å
total_atoms	5160
n_residues	688
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	89.9 Å
rg_real	27.38 Å
rg_real_error	0.55 Å
i0_real	8.2620e+07
i0_real_error	1.2130e+06
rg_reciprocal	27.39 Å
i0_reciprocal	82620000.0000
total_estimate	0.8820
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	34.1 Å
skewness	0.342
kurtosis	-0.280
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	31670000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.833; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.964

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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	69.890 Å
length_b	85.980 Å
length_c	54.370 Å
angle_alpha	90.00 °
angle_beta	100.30 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.700 Å
resolution_low	6.500 Å
r_factor	0.2050
r_work	0.2050
r_free	0.3020

description	3-ISOPROPYLMALATE DEHYDROGENASE
formula_weight	36633.0 kDa
ec_number	1.1.1.85
src_method	man
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	5233

STRUCTURE OF MODIFIED 3-ISOPROPYLMALATE DEHYDROGENASE AT THE C-TERMINUS, HD177

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	73

fit	/app/data/saxs_computation/dr/1dr8/1dr8.fit
pddf	/app/data/pr_computation/dr/1dr8/1dr8.pr.out
profile	/app/data/saxs_computation/dr/1dr8/1dr8.dat