4ZZO
Human ERK2 in complex with an irreversible inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-02-17 |
Detector | DECTRIS PILATUS |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.750, 70.070, 60.100 |
Unit cell angles | 90.00, 109.25, 90.00 |
Refinement procedure
Resolution | 38.470 - 1.630 |
R-factor | 0.1913 |
Rwork | 0.185 |
R-free | 0.23730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NONE |
RMSD bond length | 0.010 |
RMSD bond angle | 1.010 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.470 | 1.670 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.070 | 0.570 |
Number of reflections | 47270 | |
<I/σ(I)> | 9.9 | 2.1 |
Completeness [%] | 99.3 | 98.8 |
Redundancy | 3.3 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |