4KIQ
Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with ETHYL 6-((5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)CARBAMOYL)-1H-INDOLE-1-CARBOXYLATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-14 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 101.002, 73.539, 100.574 |
| Unit cell angles | 90.00, 96.66, 90.00 |
Refinement procedure
| Resolution | 42.880 - 2.500 |
| R-factor | 0.1861 |
| Rwork | 0.184 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s4q |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data reduction software | HKL-2000 ((DENZO)) |
| Data scaling software | HKL-2000 ((SCALEPACK)) |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.022 | 0.058 |
| Number of reflections | 49302 | |
| <I/σ(I)> | 39.2 | 15.6 |
| Completeness [%] | 96.5 | 95.7 |
| Redundancy | 2.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 1-6% (W/V) PEG-4K 50 MM MES, PH 6.0, 5MM MAGNESIUM SULFATE |
