5XY4
CATPO mutant - V536W
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) | 0.9762 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 125.420, 120.743, 184.653 |
| Unit cell angles | 90.00, 102.05, 90.00 |
Refinement procedure
| Resolution | 90.460 - 1.800 |
| R-factor | 0.15961 |
| Rwork | 0.158 |
| R-free | 0.19297 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4aum |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.780 |
| 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] | 100.370 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.054 | 0.520 |
| Rpim | 0.047 | 0.455 |
| Number of reflections | 252686 | 11150 |
| <I/σ(I)> | 8.8 | 1.6 |
| Completeness [%] | 90.0 | 91.1 |
| Redundancy | 1.9 | 1.8 |
| CC(1/2) | 0.998 | 0.643 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 323 | PEG400, Potassium chloride, Calcium chloride, Sodium cacodylate |
