3ZLY
Crystal structure of MEK1 in complex with fragment 8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Collection date | 2011-04-05 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 76.759, 76.759, 221.768 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 66.480 - 2.110 |
| R-factor | 0.201 |
| Rwork | 0.199 |
| R-free | 0.24770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.480 | 2.200 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Rmerge | 0.080 | 0.480 |
| Number of reflections | 23057 | |
| <I/σ(I)> | 6.1 | 3.3 |
| Completeness [%] | 99.4 | 99.7 |
| Redundancy | 4.8 | 4.5 |
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 |
