2XA4
Inhibitors of Jak2 Kinase domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-07 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 43.854, 126.741, 134.342 |
| Unit cell angles | 90.00, 97.04, 90.00 |
Refinement procedure
| Resolution | 33.330 - 2.040 |
| R-factor | 0.19962 |
| Rwork | 0.197 |
| R-free | 0.24456 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.342 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.330 | 2.090 |
| High resolution limit [Å] | 1.800 | 2.040 |
| Rmerge | 0.070 | 0.400 |
| Number of reflections | 43209 | |
| <I/σ(I)> | 8.02 | 1.86 |
| Completeness [%] | 93.4 | 87.2 |
| Redundancy | 3.04 | 2.92 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | HANGING DROP 20 DEG C. 1.5UL PROTEIN PLUS 1UL WELL PROTEIN: 8.7MG/ML IN 20MM TRIS/HCL PH 8.5, 100MM NACL, 1MM DTT WELL: 28% W/V PEG3350, 200MM AMMONIUM ACETATE, 100MM SODIUM CITRATE PH 6.0 |
