3B28
Hsp90 alpha N-terminal domain in complex with an inhibitor CH5015765
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-07-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 106.980, 98.810, 64.180 |
Unit cell angles | 90.00, 124.43, 90.00 |
Refinement procedure
Resolution | 35.440 - 1.350 |
R-factor | 0.1636 |
Rwork | 0.163 |
R-free | 0.18060 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.110 |
Data reduction software | XDS |
Data scaling software | SCALA (CCP4_3.3.16 2010/01/06) |
Phasing software | PHASER |
Refinement software | BUSTER (2.9.7) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.440 | 35.440 | 1.390 |
High resolution limit [Å] | 1.350 | 6.040 | 1.350 |
Rmerge | 0.030 | 0.290 | |
Rmeas | 0.040 | 0.390 | |
Total number of observations | 2531 | 14344 | |
Number of reflections | 108846 | ||
<I/σ(I)> | 12.5 | ||
Completeness [%] | 90.8 | 85.03 | 90.23 |
Redundancy | 1.8 | 2.14 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 278 | 22%(w/v) PEG2000 MME, 0.2M MgCl2, 0.1M MES-Na, pH 6.5, vapor diffusion, hanging drop, temperature 278K |