6FLE
Crystal structure of ERK2 in complex with an adenosine derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-25 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.967700 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.720, 70.080, 59.650 |
Unit cell angles | 90.00, 108.51, 90.00 |
Refinement procedure
Resolution | 38.571 - 1.480 |
R-factor | 0.1558 |
Rwork | 0.154 |
R-free | 0.19380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qyz |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.571 | 38.571 | 1.520 |
High resolution limit [Å] | 1.480 | 6.620 | 1.480 |
Rmerge | 0.038 | 0.028 | 0.802 |
Rmeas | 0.042 | 0.033 | 0.884 |
Total number of observations | 334576 | ||
Number of reflections | 59645 | 689 | 4283 |
<I/σ(I)> | 18.99 | 52.68 | 2.02 |
Completeness [%] | 94.1 | 92 | 91.7 |
Redundancy | 5.609 | 4.35 | 5.597 |
CC(1/2) | 0.999 | 0.998 | 0.525 |
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 |