2IG7
Crystal structure of Human Choline Kinase B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-07-14 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.657, 109.208, 157.952 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.800 |
Rwork | 0.192 |
R-free | 0.22670 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.459 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
Rmerge | 0.065 | 0.042 | 0.544 |
Number of reflections | 93258 | 12607 | 853 |
<I/σ(I)> | 13.4 | ||
Completeness [%] | 77.3 | ||
Redundancy | 6.4 | 7.2 | 1.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 18% PEG3350, 0.2M ammonium dihydrogen phosphate, 0.1M HEPES, pH 7.0, vapor diffusion, sitting drop, temperature 291K |