X-RAY CRYSTAL STRUCTURE OF THE DESULFOVIBRIO VULGARIS (HILDENBOROUGH) APOFLAVODOXIN-RIBOFLAVIN COMPLEX

entry_id	1bu5
deposition_date	1998-09-12
title	X-RAY CRYSTAL STRUCTURE OF THE DESULFOVIBRIO VULGARIS (HILDENBOROUGH) APOFLAVODOXIN-RIBOFLAVIN COMPLEX
keywords	FLAVOPROTEIN, ELECTRON TRANSPORT; ELECTRON TRANSPORT
method	X-RAY DIFFRACTION

rg_guinier	23.92 Å
rg_electron	23.02 Å
i0	19865900.00
molecular_weight	32291.0 kDa
excluded_volume	39572 ų
envelope_volume	48011 ų
shell_volume	18485 ų
envelope_diameter	80.5 Å
shell_rg	28.43 Å
envelope_rg	22.92 Å
shape_rg	23.04 Å
total_rg	23.62 Å
total_atoms	2272
n_residues	294
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	78.3 Å
rg_real	24.05 Å
rg_real_error	0.62 Å
i0_real	1.9870e+07
i0_real_error	2.9280e+05
rg_reciprocal	24.02 Å
i0_reciprocal	19870000.0000
total_estimate	0.8646
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.0 Å
skewness	0.402
kurtosis	-0.587
angular_range	— – 0.3300 Å−1
current_alpha	0.0000
highest_alpha	3360000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.805; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.836; Smooth: 0.984

Unit Cell

length_a	94.380 Å
length_b	62.310 Å
length_c	77.420 Å
angle_alpha	90.00 °
angle_beta	127.26 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

Refinement

resolution	1.830 Å
resolution_low	10.000 Å
r_factor	0.1690
r_work	0.1670
r_free	0.2020

Diffraction

temperature

295.0 K

Files (7)

• pr_distribution /app/data/pr_computation/bu/1bu5/pr_distribution.json
• pr_output /app/data/pr_computation/bu/1bu5/1bu5.pr.out
• pr_plot /app/data/visualization/pr_computation/bu/1bu5/1bu5_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/bu/1bu5/1bu5.dat
• saxs_fit /app/data/saxs_computation/bu/1bu5/1bu5.fit
• saxs_log /app/data/saxs_computation/bu/1bu5/1bu5.log
• saxs_plot /app/data/visualization/saxs_computation/bu/1bu5/1bu5_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/bu/1bu5/1bu5.fit
pddf	/app/data/pr_computation/bu/1bu5/1bu5.pr.out
profile	/app/data/saxs_computation/bu/1bu5/1bu5.dat