2YK9
Tricyclic series of Hsp90 inhibitors
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 | 2003-10-31 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.429, 90.686, 98.734 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.330 - 1.320 |
| R-factor | 0.186 |
| Rwork | 0.185 |
| R-free | 0.19530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| Data reduction software | PROCESS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.9.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.340 | 1.390 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Rmerge | 0.040 | 0.280 |
| Number of reflections | 67326 | |
| Completeness [%] | 95.9 | 77 |
| Redundancy | 3.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | pH 7.5 |
