4ZSL
MITOGEN ACTIVATED PROTEIN KINASE 7 IN COMPLEX WITH INHIBITOR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-08-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.950 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 92.687, 92.687, 111.042 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.200 - 2.250 |
R-factor | 0.1788 |
Rwork | 0.177 |
R-free | 0.21920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | unpublished in-house Erk5/MAPK7 structure |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.630 | 2.320 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.089 | |
Number of reflections | 23699 | |
<I/σ(I)> | 17.5 | 1.9 |
Completeness [%] | 99.8 | 98.1 |
Redundancy | 7.9 | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.25 | 297 | 4-6 % w/v PEG 6000, 0.1 M MES, 5 mM DTT |