4ZSG
MITOGEN ACTIVATED PROTEIN KINASE 7 IN COMPLEX WITH INHIBITOR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-22 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.972 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 92.530, 92.530, 107.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.790 |
R-factor | 0.2057 |
Rwork | 0.204 |
R-free | 0.23520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | unpublished in-house Erk5/MAPK7 structure |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.850 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.055 | |
Number of reflections | 44410 | |
<I/σ(I)> | 20.9 | 1.7 |
Completeness [%] | 99.4 | 98.7 |
Redundancy | 10.6 | 10.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.25 | 293 | 4-6 % w/v PEG 6000, 0.1 M MES, 5 mM DTT |