3WHA
Hsp90 alpha N-terminal domain in complex with a tricyclic inhibitor
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) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 107.170, 98.920, 64.240 |
Unit cell angles | 90.00, 124.55, 90.00 |
Refinement procedure
Resolution | 44.130 - 1.300 |
R-factor | 0.185 |
Rwork | 0.184 |
R-free | 0.20030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3b28 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER (2.1.4) |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.134 | 44.130 | 1.330 |
High resolution limit [Å] | 1.300 | 5.810 | 1.300 |
Rmerge | 0.044 | 0.030 | 0.330 |
Total number of observations | 5561 | 32305 | |
Number of reflections | 133172 | ||
<I/σ(I)> | 14.5 | ||
Completeness [%] | 98.7 | 97.14 | 98.64 |
Redundancy | 3.3 | 3.66 | 3.29 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 278 | 22%(w/v) PEG 3350, 0.2M MgCl2, 0.1M Na-MES, pH 6.5, vapor diffusion, sitting drop, temperature 278K |