6HKM
Crystal structure of Compound 1 with ERK5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-26 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.999999701977 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 92.477, 92.477, 108.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 70.370 - 2.470 |
R-factor | 0.2218 |
Rwork | 0.218 |
R-free | 0.28000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NONE |
RMSD bond length | 0.008 |
RMSD bond angle | 1.208 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.370 | 2.710 |
High resolution limit [Å] | 2.470 | 2.470 |
Rmerge | 0.053 | 0.429 |
Number of reflections | 17105 | |
<I/σ(I)> | 16.5 | |
Completeness [%] | 96.8 | 93.2 |
Redundancy | 4.6 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 11% PEG 4000, 100mM MgCl2, 160mM sodium formate, 100mM MES pH 6.75, 10mM Tris pH 8.5 |