6HKY
Eg5-inhibitor complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2017-07-08 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.920 |
Spacegroup name | P 32 |
Unit cell lengths | 95.811, 95.811, 125.953 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.905 - 2.750 |
R-factor | 0.1831 |
Rwork | 0.179 |
R-free | 0.25160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x88 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.483 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.850 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.149 | 0.510 |
Number of reflections | 33572 | 3308 |
<I/σ(I)> | 9.2 | 1.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 4.3 | 4.6 |
CC(1/2) | 0.981 | 0.601 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.04 M KH2PO4 and 12.5% PEG 8000 |