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 |