5O7I
ERK5 in complex with a pyrrole 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 | 2005-02-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.378520 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 93.910, 93.910, 113.748 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.650 - 2.380 |
| R-factor | 0.1824 |
| Rwork | 0.180 |
| R-free | 0.22030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5byz |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | MOLREP (11.4.04) |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.650 | 2.500 |
| High resolution limit [Å] | 2.380 | 2.380 |
| Rmerge | 0.150 | 1.290 |
| Number of reflections | 21010 | 2719 |
| <I/σ(I)> | 12.5 | 2.2 |
| Completeness [%] | 99.9 | 99.56 |
| Redundancy | 14.2 | 15 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 5 % (v/v) PEG 6000, 0.1 M MES (pH 6.0), 5 mM DTT |
