3DFA
Crystal structure of kinase domain of calcium-dependent protein kinase cgd3_920 from Cryptosporidium parvum
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 | 2008-03-05 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.91996 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 69.447, 69.447, 137.414 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.090 - 2.450 |
R-factor | 0.234 |
Rwork | 0.233 |
R-free | 0.26300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qg5 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.014 |
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 | 2.540 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.072 | 0.471 |
Number of reflections | 12641 | |
<I/σ(I)> | 11.2 | 4.53 |
Completeness [%] | 96.9 | 83.5 |
Redundancy | 13.2 | 11.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 293 | 0.1 M Tris-HCl pH 7.6, 20% PEG 8000, 0.38 M Ammonium sulfate, 25% Ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |