4XRJ
Crystal structure of ERK2 in complex with an inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2014-07-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9797 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.155, 71.480, 60.760 |
Unit cell angles | 90.00, 108.70, 90.00 |
Refinement procedure
Resolution | 44.800 - 1.690 |
R-factor | 0.1381 |
Rwork | 0.136 |
R-free | 0.18000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.456 |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 44.800 |
High resolution limit [Å] | 1.690 |
Number of reflections | 39592 |
<I/σ(I)> | 3.6 |
Completeness [%] | 93.0 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | MES 100mM pH 6.5, (NH4)2SO4 200mM, beta-mercaptoethanol 20mM and 26% (w/v) PEG MME2000 |