6FJB
Crystal structure of ERK2 in complex with an adenosine derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-06-30 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.93300 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.949, 71.325, 60.220 |
Unit cell angles | 90.00, 108.96, 90.00 |
Refinement procedure
Resolution | 37.138 - 1.850 |
R-factor | 0.1851 |
Rwork | 0.183 |
R-free | 0.22580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qyz |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.19) |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.139 | 44.588 | 1.950 |
High resolution limit [Å] | 1.850 | 5.850 | 1.850 |
Rmerge | 0.063 | 0.023 | 0.488 |
Rmeas | 0.086 | 0.039 | 0.713 |
Rpim | 0.059 | 0.027 | 0.482 |
Total number of observations | 62181 | 1786 | 9428 |
Number of reflections | 32674 | 961 | 4840 |
<I/σ(I)> | 9 | 27 | 1.2 |
Completeness [%] | 97.1 | 87.5 | 98.3 |
Redundancy | 1.9 | 1.9 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | PEG MME 2000, 0.1M MES pH 6.5, 0.1M ammonium sulfate, 0.02M beta-mercaptoethanol, 0.002M magnesium sulfate |