2VUV
Crystal structure of Codakine at 1.3A resolution
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 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 82.908, 30.395, 67.088 |
| Unit cell angles | 90.00, 133.86, 90.00 |
Refinement procedure
| Resolution | 27.630 - 1.300 |
| R-factor | 0.145 |
| Rwork | 0.144 |
| R-free | 0.16100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HOMOLOGY MODEL |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.724 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | ACORN |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.110 | 1.370 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.030 | 0.320 |
| Number of reflections | 26746 | |
| <I/σ(I)> | 12.1 | 2.1 |
| Completeness [%] | 89.7 | 52.5 |
| Redundancy | 3.3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M DI-AMMONIUM CITRATE PH 5, 20% W/V PEG 3350 |
