3B27
Hsp90 alpha N-terminal domain in complex with an inhibitor Ro4919127
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-03-18 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.978 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.524, 43.996, 53.804 |
Unit cell angles | 90.00, 113.90, 90.00 |
Refinement procedure
Resolution | 27.740 - 1.500 |
R-factor | 0.1857 |
Rwork | 0.184 |
R-free | 0.20840 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.140 |
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] | 50.000 | 50.000 | 1.550 |
High resolution limit [Å] | 1.500 | 3.230 | 1.500 |
Rmerge | 0.042 | 0.033 | 0.222 |
Rmeas | 0.042 | ||
Number of reflections | 34348 | ||
<I/σ(I)> | 19.4 | ||
Completeness [%] | 94.6 | 94.9 | 68.7 |
Redundancy | 4.1 | 4.1 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 21%(w/v) PEG3350, 0.3M MgCl2, 0.1M Tris-Cl, pH 8.0, vapor diffusion, hanging drop, temperature 277K |