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 |
