3C5I
Crystal structure of Plasmodium knowlesi choline kinase, PKH_134520
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97940 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 112.985, 71.993, 116.393 |
| Unit cell angles | 90.00, 97.72, 90.00 |
Refinement procedure
| Resolution | 24.790 - 2.200 |
| R-factor | 0.215 |
| Rwork | 0.212 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qg7 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.437 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.059 | 0.927 |
| Number of reflections | 107787 | |
| <I/σ(I)> | 8.3 | 1.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 293 | 11% PEG 8000, 0.2 M MgCl2, 0.1 M Tris-HCl pH 8.3, 4 mM CaCl2, 2 mM TCEP, 2 mM Phosphocholine, 15 % Glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
