5MJB
Kinase domain of human EphB1, G703C mutant, covalently bound to a quinazoline-based inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-08-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 102.200, 102.200, 157.550 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 58.840 - 2.230 |
| R-factor | 0.199 |
| Rwork | 0.198 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zfx |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.840 | 2.290 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmerge | 0.106 | 1.707 |
| Number of reflections | 47109 | |
| <I/σ(I)> | 10.2 | 1.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.7 | 10.1 |
| CC(1/2) | 0.997 | 0.622 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 18 % PEG3350, 0.1-0.2 M ammonium sulfate and 0.1 M PCTP (Sodium propionate, Sodium cacodylate trihydrate, Bis-Tris propane) buffer pH 6-9 |
