3LPB
Crystal structure of Jak2 complexed with a potent 2,8-diaryl-quinoxaline inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.99990 |
| Spacegroup name | P 41 |
| Unit cell lengths | 112.390, 112.390, 70.651 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.470 - 2.000 |
| R-factor | 0.17791 |
| Rwork | 0.176 |
| R-free | 0.20674 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b7a |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.411 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.490 | 2.060 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.050 | 0.347 |
| Number of reflections | 58981 | |
| <I/σ(I)> | 15.06 | 3.3 |
| Completeness [%] | 98.8 | 90.1 |
| Redundancy | 3.32 | 2.87 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 30% PEG4000, 0.1M AMMONIUM SULFATE, 0.1M NA CITRATE, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
