5OVS
Thiobacillus denitrificans BPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-27 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.107, 175.230, 205.890 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.550 - 2.300 |
| R-factor | 0.21034 |
| Rwork | 0.208 |
| R-free | 0.25523 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.188 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELXDE |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.600 | 2.440 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.113 | 0.831 |
| Number of reflections | 127579 | 20143 |
| <I/σ(I)> | 11.7 | 1.98 |
| Completeness [%] | 99.7 | 98.7 |
| Redundancy | 5.22 | 5.14 |
| CC(1/2) | 0.997 | 0.704 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 100 mM HEPES-NaOH pH 7.0, 600 mM NaF |
