6HHR
Hsp90 in complex with 5-(2,4-Dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-09-04 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.00000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 65.830, 89.410, 99.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.660 - 2.000 |
R-factor | 0.184 |
Rwork | 0.183 |
R-free | 0.20700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.060 | 0.725 |
Rmeas | 0.072 | 0.912 |
Rpim | 0.040 | 0.543 |
Number of reflections | 19998 | 895 |
<I/σ(I)> | 10.2 | |
Completeness [%] | 98.9 | 90.6 |
Redundancy | 2.9 | 2.2 |
CC(1/2) | 0.442 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | Sodium cacodylate, pH 6.5 30% PEG8000 0.2 M ammonium sulfate |