3F3Z
Crystal structure of Cryptosporidium parvum calcium dependent protein kinase cgd7_1840 in presence of indirubin E804
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Detector technology | IMAGE PLATE |
Collection date | 2008-08-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 63.316, 82.864, 62.151 |
Unit cell angles | 90.00, 111.61, 90.00 |
Refinement procedure
Resolution | 57.830 - 1.840 |
R-factor | 0.189 |
Rwork | 0.187 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qg5 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.501 |
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 | 1.910 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.054 | 0.606 |
Number of reflections | 25653 | |
<I/σ(I)> | 2.5 | |
Completeness [%] | 99.2 | 95.7 |
Redundancy | 3.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 18% PEG 3350, 0.1 M NH4SO4, 0.1 M NaCacodylate, 5 mM Indirubin E804, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |