3B25
Hsp90 alpha N-terminal domain in complex with an inhibitor CH4675194
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6B |
Synchrotron site | Photon Factory |
Beamline | BL-6B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-02-27 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 66.788, 91.112, 98.746 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.400 - 1.750 |
R-factor | 0.181 |
Rwork | 0.180 |
R-free | 0.20280 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.070 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 1.810 |
High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
Rmerge | 0.069 | 0.053 | 0.412 |
Rmeas | 0.069 | ||
Number of reflections | 30759 | ||
<I/σ(I)> | 11.5 | ||
Completeness [%] | 99.8 | 98.9 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 18%(w/v) PEG3350, 0.4M MgCl2, 0.1M Tris-Cl, pH 8.0, vapor diffusion, hanging drop, temperature 277K |