5XVZ
CATPO mutant - H246W
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 125.338, 120.785, 185.200 |
| Unit cell angles | 90.00, 102.06, 90.00 |
Refinement procedure
| Resolution | 100.690 - 1.900 |
| R-factor | 0.15899 |
| Rwork | 0.158 |
| R-free | 0.18652 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4aum |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.786 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 113.060 | 1.820 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.688 | 0.688 |
| Number of reflections | 239758 | |
| <I/σ(I)> | 8.1 | |
| Completeness [%] | 95.0 | 96.4 |
| Redundancy | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG400, Sodium cacodylate, Potassium chloride, Calcium chloride |
