8D6F
Crystal Structure of Human Myt1 Kinase domain Bounded with Eph receptor inhibitor / compound 41
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979100 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.748, 112.047, 72.506 |
Unit cell angles | 90.00, 110.21, 90.00 |
Refinement procedure
Resolution | 68.040 - 2.490 |
R-factor | 0.216 |
Rwork | 0.215 |
R-free | 0.23950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3p1a |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 68.040 | 68.040 | 2.640 |
High resolution limit [Å] | 2.490 | 7.450 | 2.490 |
Rmerge | 0.053 | 0.040 | 0.532 |
Rmeas | 0.075 | 0.056 | 0.752 |
Total number of observations | 91995 | ||
Number of reflections | 26430 | 3450 | 13020 |
<I/σ(I)> | 6.08 | 14.11 | 0.71 |
Completeness [%] | 82.0 | 87.8 | 76.9 |
Redundancy | 1.066 | 1.019 | 1.086 |
CC(1/2) | 0.996 | 0.994 | 0.618 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.25 | 293 | 5.6 to 6.6% PEG3350, 0.2 M Na2SO4, 0.1 M Tris-HCl and 10% EG |