4KIN
Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with 5-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-2-THIOPHENECARBOXAMIDE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-11 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 100.875, 73.549, 100.952 |
| Unit cell angles | 90.00, 96.38, 90.00 |
Refinement procedure
| Resolution | 28.330 - 1.970 |
| R-factor | 0.1859 |
| Rwork | 0.184 |
| R-free | 0.21730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| 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 | 2.050 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.062 | 0.147 |
| Number of reflections | 102465 | |
| <I/σ(I)> | 21.1 | 5.8 |
| Completeness [%] | 99.5 | 98.6 |
| Redundancy | 3.5 | 3.2 |
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 |
