8V5I
Crystal structure of MAP4K4 in complex with an inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2020-06-12 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.270, 93.000, 99.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.870 - 2.180 |
| R-factor | 0.2503 |
| Rwork | 0.249 |
| R-free | 0.28050 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.000 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7 (29-NOV-2019)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.870 | 2.460 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.052 | 1.040 |
| Rpim | 0.022 | 0.476 |
| Number of reflections | 22001 | 6174 |
| <I/σ(I)> | 17.5 | |
| Completeness [%] | 91.8 | 74.9 |
| Redundancy | 6.6 | 5.6 |
| CC(1/2) | 1.000 | 0.695 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 294 | mixing 1:1; protein (at 5.0 mg/mL) with reservoir containing 0.1M MES (pH 6.4) and 12% w/v PEG 8000. Compound was soaked into the apo crystals for 1 hr |
