1WBU
Fragment based lead discovery using crystallography
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MSC |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.035, 32.604, 72.321 |
| Unit cell angles | 90.00, 90.70, 90.00 |
Refinement procedure
| Resolution | 19.000 - 1.900 |
| R-factor | 0.2069 |
| Rwork | 0.207 |
| R-free | 0.26960 |
| Structure solution method | OTHER |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.816 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Refinement software | CNS |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 19.000 |
| High resolution limit [Å] | 1.800 |
| Rmerge | 0.040 |
| Number of reflections | 20393 |
| Completeness [%] | 100.0 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
