3ZM4
Crystal structure of MEK1 in complex with fragment 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Collection date | 2011-04-27 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 77.805, 77.805, 222.926 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 64.500 - 2.370 |
R-factor | 0.2074 |
Rwork | 0.205 |
R-free | 0.24080 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.060 |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.500 | 2.500 |
High resolution limit [Å] | 2.370 | 2.370 |
Rmerge | 0.100 | 0.520 |
Number of reflections | 17174 | |
<I/σ(I)> | 28.3 | 9 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 18.6 | 19.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.7 | Appropriate single crystals were grown using this set-up in PEG 4000 18%, Tris 100mM pH7.7, DMSO 2% and CaCl2 0.2M and were extracted from the low volume drops, cryo-protected in mother liquor with 20% glycerol and flash cooled for synchrotron collection |