4XP2
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] | 100 |
Detector technology | CCD |
Collection date | 2008-05-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97970 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.637, 70.314, 59.827 |
Unit cell angles | 90.00, 108.93, 90.00 |
Refinement procedure
Resolution | 28.295 - 1.748 |
R-factor | 0.1873 |
Rwork | 0.185 |
R-free | 0.22630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qyw |
RMSD bond length | 0.008 |
RMSD bond angle | 0.951 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.500 | 1.830 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmerge | 0.035 | 0.289 |
Number of reflections | 69472 | |
<I/σ(I)> | 11.9 | 1.4 |
Completeness [%] | 89.7 | 89.6 |
Redundancy | 1.8 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 26% PEG MME 2000, 0.1M MES pH 6.5, 0.1M ammonium sulfate, 0.02M beta-mercaptoethanol |