5XZN
CATPO mutant - V228C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-06-25 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97241 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 125.121, 121.080, 185.119 |
| Unit cell angles | 90.00, 101.96, 90.00 |
Refinement procedure
| Resolution | 55.250 - 1.470 |
| R-factor | 0.1505 |
| Rwork | 0.149 |
| R-free | 0.17520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4aum |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.942 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 112.840 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.090 | 0.610 |
| Rpim | 0.085 | 0.566 |
| Number of reflections | 473154 | 22629 |
| <I/σ(I)> | 7.4 | 1.6 |
| Completeness [%] | 99.2 | 95.9 |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.992 | 0.658 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG400, Potassium chloride, Calcium chloride, Sodium cacodylate |
