5J27
HSP90 in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propyl-benzenesulfonamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 200 |
Detector technology | PIXEL |
Collection date | 2015-09-15 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 70.417, 88.994, 96.933 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.500 - 1.700 |
R-factor | 0.2 |
Rwork | 0.199 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yes |
RMSD bond length | 0.010 |
RMSD bond angle | 1.020 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.500 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 33811 | |
<I/σ(I)> | 16.1 | |
Completeness [%] | 98.1 | 98.1 |
Redundancy | 6.17 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277.15 | 0.2 M sodium fluoride 0.1 M Bis Tris propane 20 % w/v PEG 3350 |