5DI1
MAP4K4 in complex with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.600, 91.740, 96.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.440 - 2.900 |
| R-factor | 0.2004 |
| Rwork | 0.198 |
| R-free | 0.24920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f3m |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.260 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.9.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.950 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.109 | 0.366 |
| Number of reflections | 15489 | |
| <I/σ(I)> | 29.9 | 2.7 |
| Completeness [%] | 93.8 | 45 |
| Redundancy | 6.4 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 20 mM HEPES pH7.0, 0.3 M NaCl, 30% PEG NNE 2000m 0.1 M KSCN |
