2BZ5
Structure-based Discovery of a New Class of Hsp90 Inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-03-10 |
Detector | RIGAKU IMAGE PLATE |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 64.460, 88.562, 98.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.900 |
R-factor | 0.198 |
Rwork | 0.195 |
R-free | 0.25400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uy6 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.652 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.060 | 0.310 |
Number of reflections | 40240 | |
<I/σ(I)> | 11.1 | 3.1 |
Completeness [%] | 88.6 | 56 |
Redundancy | 3.19 | 2.12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | CRYSTALLIZATION CONDITIONS: 25% PEG MME 2000, 0.1M NA CACODYLATE, PH6.5, 0.2M MGCL2., pH 6.50 |