1UYM
Human Hsp90-beta with PU3 (9-Butyl-8(3,4,5-trimethoxy-benzyl)-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 | 2002-07-15 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.861, 90.707, 96.289 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.450 |
| R-factor | 0.238 |
| Rwork | 0.235 |
| R-free | 0.29400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yer |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.517 |
| 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 | 2.550 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.068 | 0.297 |
| Number of reflections | 11080 | |
| <I/σ(I)> | 8.7 | 1.9 |
| Completeness [%] | 97.6 | 97.6 |
| Redundancy | 5.3 | 4.2 |
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 |
