7Q7K
JAK2 in complex with 4-(2-amino-8-methoxyquinazolin-6-yl)phenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97242 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 93.375, 101.471, 68.192 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.400 - 1.610 |
| R-factor | 0.184 |
| Rwork | 0.183 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | apo |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.950 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.400 | 1.670 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmeas | 0.077 | 1.568 |
| Number of reflections | 42211 | 4066 |
| <I/σ(I)> | 13.1 | 1.4 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 6.7 | 6.7 |
| CC(1/2) | 0.999 | 0.589 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.46-1.60 M trisodium citrate (untitrated) |
