CRYSTAL STRUCTURE OF FERREDOXIN THIOREDOXIN REDUCTASE

entry_id	1dj7
deposition_date	1999-12-02
title	CRYSTAL STRUCTURE OF FERREDOXIN THIOREDOXIN REDUCTASE
keywords	4FE-4S CLUSTER BINDING FOLD WITH CXCX16CXCX8CXC BINDING MOTIF, ELECTRON TRANSPORT; ELECTRON TRANSPORT
method	X-RAY DIFFRACTION

rg_guinier	17.99 Å
rg_electron	17.28 Å
i0	8433860.00
molecular_weight	20356.0 kDa
excluded_volume	24949 ų
envelope_volume	28924 ų
shell_volume	14465 ų
envelope_diameter	62.8 Å
shell_rg	22.75 Å
envelope_rg	17.59 Å
shape_rg	17.37 Å
total_rg	17.89 Å
total_atoms	1409
n_residues	182
n_harmonics	20
q_range	— – 0.5000 Å−1
n_points	101
shell_type	directional
solvent_density	0.3340 e/ų
contrast_shell	0.0300 e/ų
crysol_version	4.1.3

dmax	60.5 Å
rg_real	18.00 Å
rg_real_error	0.43 Å
i0_real	8.4340e+06
i0_real_error	1.0250e+05
rg_reciprocal	18.00 Å
i0_reciprocal	8434000.0000
total_estimate	0.7932
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	18.8 Å
skewness	0.374
kurtosis	-0.238
angular_range	— – 0.4400 Å−1
current_alpha	0.0000
highest_alpha	1801000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.782; Stabil: 0.992; Sysdev: 1.000; Positv: 1.000; Valcen: 0.983; Smooth: 0.000

Unit Cell

length_a	45.296 Å
length_b	45.296 Å
length_c	172.147 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

Refinement

resolution	1.600 Å
resolution_low	10.000 Å
r_factor	0.2640
r_work	0.2380
r_free	0.2780

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/dj/1dj7/pr_distribution.json
• pr_output /app/data/pr_computation/dj/1dj7/1dj7.pr.out
• pr_plot /app/data/visualization/pr_computation/dj/1dj7/1dj7_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/dj/1dj7/1dj7.dat
• saxs_fit /app/data/saxs_computation/dj/1dj7/1dj7.fit
• saxs_log /app/data/saxs_computation/dj/1dj7/1dj7.log
• saxs_plot /app/data/visualization/saxs_computation/dj/1dj7/1dj7_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/dj/1dj7/1dj7.fit
pddf	/app/data/pr_computation/dj/1dj7/1dj7.pr.out
profile	/app/data/saxs_computation/dj/1dj7/1dj7.dat