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 |