7WG1
DVAA-KlAte1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-16 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.10000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.088, 107.736, 161.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.160 - 2.190 |
| R-factor | 0.1802 |
| Rwork | 0.178 |
| R-free | 0.23400 |
| Structure solution method | MAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.111 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.190 | 2.200 |
| Rmerge | 0.158 | 0.733 |
| Rmeas | 0.174 | 0.847 |
| Rpim | 0.072 | 0.414 |
| Number of reflections | 62337 | 3042 |
| <I/σ(I)> | 8.773 | 1.038 |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 5.7 | 3.9 |
| CC(1/2) | 0.994 | 0.649 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 120mM alcohols (Molecular dimensions), 100mM buffer system 2 pH 7.5 (Molecular dimensions), 37.5% (v/v) precipitant Mix 4 (Molecular dimensions) |
