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 |
