6Y6V
p38a bound with MCP-81
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.3 |
| Synchrotron site | BESSY |
| Beamline | 14.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-04-25 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.89429 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.230, 72.680, 77.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.280 - 2.100 |
| R-factor | 0.2514 |
| Rwork | 0.249 |
| R-free | 0.30380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lar |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.671 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.280 | 50.230 | 2.160 |
| High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
| Rmerge | 0.158 | 0.066 | 0.875 |
| Rmeas | 0.176 | 0.082 | 0.978 |
| Rpim | 0.077 | 0.047 | 0.427 |
| Total number of observations | 1137 | 9219 | |
| Number of reflections | 22199 | 337 | 1801 |
| <I/σ(I)> | 6.5 | 12.3 | 1.6 |
| Completeness [%] | 99.5 | 98.7 | 99.2 |
| Redundancy | 5 | 3.4 | 5.1 |
| CC(1/2) | 0.982 | 0.927 | 0.572 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 15% MWW PegSmear 0.1 M MES |
