5MJA
Kinase domain of human EphB1 bound to a quinazoline-based inhibitor
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 | 2016-06-18 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 101.806, 101.806, 157.140 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 76.890 - 2.140 |
R-factor | 0.202 |
Rwork | 0.200 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ZFX chain A |
RMSD bond length | 0.010 |
RMSD bond angle | 1.050 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | BUSTER (2.11.6) |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.890 | 2.200 |
High resolution limit [Å] | 2.140 | 2.140 |
Rmerge | 0.108 | 2.164 |
Number of reflections | 52668 | |
<I/σ(I)> | 16.2 | 1.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 19.7 | 19.3 |
CC(1/2) | 1.000 | 0.620 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 18 % PEG3350, 0.1-0.2 M ammonium sulfate, 0.1 M PCTP (Sodium propionate, Sodium cacodylate trihydrate, Bis-Tris propane) buffer pH 6-9 |