4MVF
Crystal Structure of Plasmodium falciparum CDPK2 complexed with inhibitor staurosporine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-10-28 |
Detector | DECTRIS PILATUS 2M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.150, 92.250, 97.780 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.680 - 2.000 |
R-factor | 0.195 |
Rwork | 0.193 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | THEORETICAL MODEL OF CDPK2 GENERATED BY THE SWISS- MODEL SERVER |
RMSD bond length | 0.007 |
RMSD bond angle | 1.022 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.700 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.062 | 0.387 |
Number of reflections | 36894 | |
<I/σ(I)> | 36 | 9.7 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 24.7 | 23.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 291 | 0.1M MES, 12% PEG 20000, 2mM calcium chloride, 0.3mM staurosporine, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 291K |