3DRE
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 | 97.963, 97.963, 164.312 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.690 - 2.200 |
| R-factor | 0.225 |
| Rwork | 0.205 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| 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] | 20.000 | 20.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.720 | 2.200 |
| Rmerge | 0.135 | 0.112 | 0.243 |
| Number of reflections | 41184 | ||
| <I/σ(I)> | 13.6 | ||
| Completeness [%] | 99.5 | 98.2 | 99.5 |
| Redundancy | 11.3 | 12.2 | 9.4 |
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 |
