6YG7
Crystal structure of MKK7 (MAP2K7) covalently bound with type-II inhibitor SB1-G-23
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.070, 69.240, 72.250 |
Unit cell angles | 90.00, 117.92, 90.00 |
Refinement procedure
Resolution | 61.830 - 2.200 |
R-factor | 0.2095 |
Rwork | 0.207 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dyl |
RMSD bond length | 0.014 |
RMSD bond angle | 1.472 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 61.830 | 46.935 | 2.320 |
High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
Rmerge | 0.070 | 0.044 | 0.770 |
Rmeas | 0.078 | 0.049 | 0.859 |
Rpim | 0.034 | 0.021 | 0.375 |
Number of reflections | 32046 | 1064 | 4662 |
<I/σ(I)> | 10.2 | 10.5 | 0.9 |
Completeness [%] | 99.9 | 99.6 | 99.9 |
Redundancy | 5 | 4.8 | 4.9 |
CC(1/2) | 0.998 | 0.740 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.15 | 25% PEG3350, 0.1 M ammonium acetate, 0.1 M tris, pH 8.5 |