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 |