2VSD
crystal structure of CHIR-AB1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS VII |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 63.695, 63.695, 55.453 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.620 - 1.820 |
| R-factor | 0.21 |
| Rwork | 0.207 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vdg |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.868 |
| Phasing software | PHASER (MOLREP) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.700 | 1.890 |
| High resolution limit [Å] | 1.800 | 1.820 |
| Rmerge | 0.040 | 0.430 |
| Number of reflections | 10932 | |
| <I/σ(I)> | 41.9 | 4.3 |
| Completeness [%] | 95.9 | 93.9 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 2M AMMONIUM SULFATE, pH 8 |
