3DRB
Crystal structure of Human Brain-type Creatine Kinase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 4A |
Synchrotron site | PAL/PLS |
Beamline | 4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-07 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 97.720, 97.720, 166.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.170 - 2.000 |
R-factor | 0.212 |
Rwork | 0.196 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
Rmerge | 0.077 | 0.052 | 0.266 |
Number of reflections | 62701 | ||
<I/σ(I)> | 15.4 | ||
Completeness [%] | 97.7 | 99.3 | 84 |
Redundancy | 10.4 | 14 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1M tris-HCl, 20% PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |