5E16
Co-crystal structure of the N-termial cGMP binding domain of Plasmodium falciparum PKG with cGMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-07-02 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 51.266, 53.847, 92.351 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.180 - 1.650 |
R-factor | 0.1972 |
Rwork | 0.196 |
R-free | 0.22680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4MYJ |
RMSD bond length | 0.013 |
RMSD bond angle | 1.592 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.680 |
High resolution limit [Å] | 1.650 | 4.480 | 1.650 |
Rmerge | 0.043 | 0.033 | 0.303 |
Rmeas | 0.046 | 0.035 | 0.334 |
Rpim | 0.017 | 0.013 | 0.138 |
Total number of observations | 116330 | ||
Number of reflections | 15745 | ||
<I/σ(I)> | 19.4 | ||
Completeness [%] | 99.7 | 97.5 | 96.8 |
Redundancy | 7.4 | 6.8 | 5.6 |
CC(1/2) | 0.999 | 0.957 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 25 % Peg3350, 0.2 M NaCl, 0.1 M HEPES, pH 7.5 |