4YHF
Bruton's tyrosine kinase in complex with a t-butyl cyanoacrylamide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.770, 77.090, 88.030 |
| Unit cell angles | 90.00, 96.43, 90.00 |
Refinement procedure
| Resolution | 38.550 - 2.200 |
| R-factor | 0.1762 |
| Rwork | 0.174 |
| R-free | 0.20790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gen |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.848 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.550 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 29610 | |
| <I/σ(I)> | 11.8 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M MES pH 6.5, 0.2 M (NH4)SO4, and 30% (w/v) PEG 5000 MME |
