3F6R
Desulfovibrio desulfuricans (ATCC 29577) oxidized flavodoxin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-06-10 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 43 |
Unit cell lengths | 71.060, 71.060, 112.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.530 - 2.000 |
R-factor | 0.215 |
Rwork | 0.211 |
R-free | 0.24910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1AZL with side chains pruned to the last common atom |
RMSD bond length | 0.005 |
RMSD bond angle | 0.944 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.530 | 2.040 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.101 | 0.247 |
Number of reflections | 29589 | |
<I/σ(I)> | 9.9 | 3.3 |
Completeness [%] | 74.5 | 14.8 |
Redundancy | 5.39 | 1.79 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 293 | 0.1M sodium citrate, 2.4M ammonium sulfate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |