2XX2
Macrolactone Inhibitor bound to HSP90 N-term
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-04 |
| Detector | ADSC CCD |
| Spacegroup name | P 43 |
| Unit cell lengths | 104.500, 104.500, 109.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.734 - 1.850 |
| R-factor | 0.2069 |
| Rwork | 0.206 |
| R-free | 0.22940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ah6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.057 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.520 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.070 | 0.510 |
| Number of reflections | 100128 | |
| <I/σ(I)> | 6.01 | 1.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.97 | 3.96 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
