3P08
Crystal structure of the human BTK kinase domain
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] | 100 |
Detector technology | CCD |
Collection date | 2008-11-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.602, 103.493, 117.564 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.350 - 2.300 |
R-factor | 0.22776 |
Rwork | 0.222 |
R-free | 0.27791 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k2p |
RMSD bond length | 0.009 |
RMSD bond angle | 1.180 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
<I/σ(I)> | 20.6 | |
Completeness [%] | 99.2 | 98.1 |
Redundancy | 4.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | equal volumes of well solution (0.2 M Na Malonate pH 7.0, 20% PEG 3350, 3% 6-aminocaproic acid) and protein solution (8 mg/mL in 100 mM NaCl, 10 mM Tris-HCL, pH8.5, 1mM TCEP) , VAPOR DIFFUSION, HANGING DROP, temperature 277K |