5BYY
ERK5 IN COMPLEX WITH SMALL MOLECULE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-05-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00003 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 92.791, 92.791, 107.321 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 70.190 - 2.790 |
R-factor | 0.22342 |
Rwork | 0.221 |
R-free | 0.27285 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.073 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.190 | 3.040 |
High resolution limit [Å] | 2.790 | 2.790 |
Rmerge | 0.069 | 0.440 |
Number of reflections | 12141 | |
<I/σ(I)> | 21.7 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.9 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.01 M Tris 8.50 0.01 M MgCl2 13 % PEG4000 0.18 M Na-formiate 0.10 M MES, pH=6.50 |