5TTS
Jak3 with covalent inhibitor 4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ DW |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-26 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.369, 75.754, 89.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.440 - 2.340 |
| R-factor | 0.2053 |
| Rwork | 0.202 |
| R-free | 0.26330 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
| High resolution limit [Å] | 2.340 | 6.350 | 2.340 |
| Rmerge | 0.050 | 0.032 | 0.391 |
| Number of reflections | 14122 | ||
| <I/σ(I)> | 16.5 | ||
| Completeness [%] | 99.2 | 97.8 | 89.3 |
| Redundancy | 4.5 | 4.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 20% PEG 3350, 0.2M (NH4)2SO4, 2% phenylurea |
