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 |