8YP8
Structure of the p38alpha-pepHePTPm(16-31)(V31C ) complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU R-AXIS IV |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-04-12 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 81.960, 81.960, 122.400 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.350 - 2.140 |
| R-factor | 0.1876 |
| Rwork | 0.186 |
| R-free | 0.21610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p38 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.476 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.350 | 2.200 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Rmerge | 0.127 | 0.894 |
| Rpim | 0.047 | 0.552 |
| Number of reflections | 26386 | 1741 |
| <I/σ(I)> | 18.9 | 1.4 |
| Completeness [%] | 98.0 | 80.5 |
| Redundancy | 7.9 | 3.3 |
| CC(1/2) | 0.998 | 0.482 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 295 | 0.1 M HEPES pH 7.8 0.6-0.8 M Sodium Citrate |
