2WI3
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 | 2002-09-10 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 65.682, 89.172, 99.783 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.940 - 1.900 |
R-factor | 0.19992 |
Rwork | 0.198 |
R-free | 0.24248 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uy6 |
RMSD bond length | 0.028 |
RMSD bond angle | 2.215 |
Data reduction software | d*TREK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.250 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.020 | 0.180 |
Number of reflections | 21769 | |
<I/σ(I)> | 21.2 | 3.2 |
Completeness [%] | 92.8 | 64 |
Redundancy | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | pH 6.5 |