8PAR
Crystal structure of human MAP4K1 with an inhibitor, BAY-405
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-03-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 76.723, 100.205, 39.497 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.950 - 2.000 |
| R-factor | 0.24221 |
| Rwork | 0.240 |
| R-free | 0.29244 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.519 |
| 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] | 41.950 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmeas | 0.113 | 1.694 |
| Number of reflections | 20999 | 3287 |
| <I/σ(I)> | 14.22 | 1.29 |
| Completeness [%] | 98.6 | 97.7 |
| Redundancy | 7.2 | 7.1 |
| CC(1/2) | 0.999 | 0.703 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1M TRIS pH 8.0, 20 % MPD |
