4U9U
Crystal structure of NqrF FAD-binding domain from Vibrio cholerae
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2007-04-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0, 1.07152, 1.07208, 1.0628 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.430, 89.070, 90.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.550 |
| R-factor | 0.1635 |
| Rwork | 0.162 |
| R-free | 0.19640 |
| Structure solution method | MAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.419 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.000 | 45.000 | 1.650 |
| High resolution limit [Å] | 1.550 | 10.000 | 1.550 |
| Rmerge | 0.109 | 0.053 | 2.987 |
| Rmeas | 0.111 | 0.054 | 3.076 |
| Total number of observations | 1925204 | ||
| Number of reflections | 86120 | 377 | 14453 |
| <I/σ(I)> | 16.51 | 43.92 | 0.96 |
| Completeness [%] | 99.4 | 97.4 | 98.4 |
| Redundancy | 22.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 35% PEG4000, 0.1M citric acid NaOH, pH5, 0.2M magnesium acetate |
