4JWQ
Crystal Structure of the Calcium Binding Domain of CDPK3 from Plasmodium Berghei, PB000947.00
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-03-21 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.97934 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 24.564, 69.741, 90.581 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.010 - 2.150 |
R-factor | 0.2029 |
Rwork | 0.201 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.631 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | BALBES |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.190 |
High resolution limit [Å] | 2.150 | 5.830 | 2.150 |
Rmerge | 0.103 | 0.058 | 0.714 |
Number of reflections | 9095 | ||
<I/σ(I)> | 9.5 | ||
Completeness [%] | 99.9 | 99.1 | 100 |
Redundancy | 5.7 | 4.7 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 30% Peg 4K, 0.2 M NH4SO4, 0.1 M NaCacodylate 6.5, 2 mM CaCl2, Chymotrypsin 1:100, VAPOR DIFFUSION, SITTING DROP, temperature 298K |