6BKH
BTK complex with compound 11
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2009-08-26 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.000 |
Spacegroup name | P 61 |
Unit cell lengths | 108.213, 108.213, 41.794 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.170 - 1.792 |
R-factor | 0.1547 |
Rwork | 0.152 |
R-free | 0.20080 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.099 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
High resolution limit [Å] | 1.790 | 4.880 | 1.800 |
Rmerge | 0.068 | 0.026 | 0.614 |
Rmeas | 0.076 | 0.029 | 0.699 |
Rpim | 0.034 | 0.012 | 0.330 |
Number of reflections | 26407 | 1396 | 1328 |
<I/σ(I)> | 10.6 | ||
Completeness [%] | 99.8 | 99.7 | 99.6 |
Redundancy | 4.9 | 5.3 | 4.3 |
CC(1/2) | 0.999 | 0.670 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 277 | PEG 10000, Li2SO4, pH 7.0 |