6SNR
Crystal structure of FemX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-04 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.920 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.010, 83.620, 133.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.270 - 1.620 |
| R-factor | 0.2217 |
| Rwork | 0.221 |
| R-free | 0.23686 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.538 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELXDE |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.000 | 1.660 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.065 | 0.567 |
| Rmeas | 0.078 | |
| Rpim | 0.031 | |
| Number of reflections | 65058 | 4782 |
| <I/σ(I)> | 15.7 | 2.6 |
| Completeness [%] | 99.7 | |
| Redundancy | 6.5 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.3 | 291 | 0.12 M Ethylene Glycol, 0.1 M MES/imidazole pH 6.3 and 28 % Ethylene Glycol-PEG 8000 |
