2WQH
Crystal structure of CTPR3Y3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-04 |
| Detector | ADSC CCD |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 62.284, 62.284, 120.368 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.220 - 2.200 |
| R-factor | 0.23733 |
| Rwork | 0.235 |
| R-free | 0.28487 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1na3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.181 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.290 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.200 | 0.660 |
| Number of reflections | 7412 | |
| <I/σ(I)> | 11.61 | 4.54 |
| Completeness [%] | 99.1 | 98.8 |
| Redundancy | 8.3 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 0.1M MMT PH 4.0, 25% PEG1500 |
