2YJW
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 | IMAGE PLATE |
Collection date | 2010-11-09 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 65.700, 89.090, 100.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.720 - 1.610 |
R-factor | 0.1875 |
Rwork | 0.186 |
R-free | 0.20960 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.030 |
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] | 15.720 | |
High resolution limit [Å] | 1.670 | |
Rmerge | 0.060 | 0.490 |
Number of reflections | 38324 | |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | NA CITRATE 1.3 M., pH 7.5 |