1UYL
Structure-Activity Relationships in purine-based inhibitor binding to HSP90 isoforms
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-03-15 |
| Detector | ADSC CCD |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.127, 88.769, 99.944 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.940 - 1.400 |
| R-factor | 0.2 |
| Rwork | 0.199 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yer |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.794 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.420 |
| Rmerge | 0.087 | 0.517 |
| Number of reflections | 57228 | |
| <I/σ(I)> | 13.73 | 1.5 |
| Completeness [%] | 94.2 | 82.2 |
| Redundancy | 2 | 1 |
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 |
