5J8U
Crystal Structure of Hsp90-alpha N-domain L107A mutant in complex with 5-(2,4-Dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one
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 | 2015-09-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 130.232, 64.942, 88.098 |
Unit cell angles | 90.00, 130.34, 90.00 |
Refinement procedure
Resolution | 44.020 - 1.750 |
R-factor | 0.219 |
Rwork | 0.218 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yes |
RMSD bond length | 0.010 |
RMSD bond angle | 1.050 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.020 | 1.850 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmerge | 0.082 | 3.030 |
Number of reflections | 56286 | |
<I/σ(I)> | 8.42 | 0.67 |
Completeness [%] | 97.4 | 91.3 |
Redundancy | 3.25 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 0.2 M sodium fluoride 0.1 M Bis Tris propane pH 8.5 20 % w/v PEG 3350 |