2WI5
Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-09-16 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 64.804, 88.709, 99.467 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.940 - 2.100 |
R-factor | 0.22282 |
Rwork | 0.219 |
R-free | 0.30230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uy6 |
RMSD bond length | 0.021 |
RMSD bond angle | 2.079 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.800 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.060 | 0.240 |
Number of reflections | 17039 | |
<I/σ(I)> | 8.7 | 1.9 |
Completeness [%] | 99.3 | 96.1 |
Redundancy | 3 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | pH 6.5 |