5Y17
CATPO mutant - E316F
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 | 125.733, 120.870, 183.804 |
| Unit cell angles | 90.00, 101.97, 90.00 |
Refinement procedure
| Resolution | 100.510 - 2.300 |
| R-factor | 0.18017 |
| Rwork | 0.178 |
| R-free | 0.21984 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4aum |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.651 |
| 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] | 100.510 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.495 | |
| Rpim | 0.492 | |
| Number of reflections | 163088 | 8219 |
| <I/σ(I)> | 6.1 | 1.5 |
| Completeness [%] | 90.2 | 92.5 |
| Redundancy | 2.2 | 2.2 |
| CC(1/2) | 0.996 | 0.732 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG400, Potassium chloride, Calcium chloride, Sodium cacodylate |
