5P9K
CRYSTAL STRUCTURE OF BTK with CNX 774
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-03 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.98, 1.00 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 71.791, 104.107, 38.098 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.100 - 1.280 |
| Rwork | 0.180 |
| R-free | 0.19460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1USJA |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.183 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.100 | 1.330 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Rmerge | 0.066 | 0.589 |
| Number of reflections | 73158 | |
| <I/σ(I)> | 25.24 | 3.31 |
| Completeness [%] | 97.7 | 97.1 |
| Redundancy | 5.9 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 298 | PEG 3350, sodium actate, BisTrisPropane |
