2YJX
Tricyclic series of Hsp90 inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-09 |
Detector | MARRESEARCH |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 66.399, 90.765, 98.734 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.550 - 1.830 |
R-factor | 0.1761 |
Rwork | 0.175 |
R-free | 0.19860 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.020 |
Data reduction software | PROCESS-XDS |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | BUSTER (2.9.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.550 | 1.910 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.040 | 0.210 |
Number of reflections | 26359 | |
Completeness [%] | 99.6 | 97.5 |
Redundancy | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | pH 7.5 |