1UYH
Human Hsp90-alpha with 9-Butyl-8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-09-15 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 66.502, 90.414, 98.664 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.940 - 2.200 |
R-factor | 0.267 |
Rwork | 0.264 |
R-free | 0.32600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yer |
RMSD bond length | 0.019 |
RMSD bond angle | 1.781 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.19) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.053 | 0.311 |
Number of reflections | 14468 | |
<I/σ(I)> | 9 | 1.9 |
Completeness [%] | 93.6 | 91.7 |
Redundancy | 4.1 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 25% PEG MME 2000, 0.1M NA CACODYLATE, PH6.5, 0.2M MGCL2., pH 6.50 |