6YG5
Crystal structure of MKK7 (MAP2K7) in complex with ASC69
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-08-04 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.660, 68.031, 84.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.640 - 2.400 |
R-factor | 0.2333 |
Rwork | 0.231 |
R-free | 0.28150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dyl |
RMSD bond length | 0.008 |
RMSD bond angle | 1.174 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.640 | 39.640 | 2.530 |
High resolution limit [Å] | 2.400 | 7.590 | 2.400 |
Rmerge | 0.061 | 0.048 | 0.730 |
Rmeas | 0.069 | 0.055 | 0.819 |
Rpim | 0.031 | 0.026 | 0.364 |
Number of reflections | 13948 | 500 | 2013 |
<I/σ(I)> | 12.5 | 10.4 | 1 |
Completeness [%] | 99.5 | 98.1 | 99.6 |
Redundancy | 4.7 | 4.1 | 4.7 |
CC(1/2) | 0.997 | 0.766 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 277.15 | 16% PEG3350, 0.2 M ammonium acetate, 0.1 M tris, pH 7.8 |