4FVR
Crystal structure of the Jak2 pseudokinase domain mutant V617F (Mg-ATP-bound form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-02-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.900, 57.326, 60.555 |
| Unit cell angles | 90.00, 111.86, 90.00 |
Refinement procedure
| Resolution | 43.500 - 2.000 |
| R-factor | 0.1831 |
| Rwork | 0.181 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fvp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.281 |
| Data reduction software | DENZO |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 4.750 | 1.750 |
| Rmerge | 0.066 | 0.036 | 0.431 |
| Number of reflections | 29027 | ||
| <I/σ(I)> | 6.3 | ||
| Completeness [%] | 99.3 | 100 | 93.6 |
| Redundancy | 6.4 | 6.6 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 100 mM Tris/HCl, PEG 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
