5J20
HSP90 in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-N-furan-2-ylmethyl-2,4-dihydroxy-N-methyl-benzamide
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 | 2015-09-14 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 69.919, 88.660, 97.882 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.460 - 1.760 |
R-factor | 0.198 |
Rwork | 0.197 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yes |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
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] | 22.460 | 1.870 |
High resolution limit [Å] | 1.760 | 1.760 |
Number of reflections | 30479 | |
<I/σ(I)> | 0.59 | |
Completeness [%] | 99.9 | 99 |
Redundancy | 1.6 |
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 |