5W8R
Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-25 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97929 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.024, 72.944, 65.546 |
Unit cell angles | 90.00, 99.30, 90.00 |
Refinement procedure
Resolution | 48.400 - 2.200 |
R-factor | 0.203 |
Rwork | 0.200 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ifg |
RMSD bond length | 0.008 |
RMSD bond angle | 0.730 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.400 | 50.000 | 2.240 |
High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
Rmerge | 0.043 | 0.435 | |
Rmeas | 0.050 | 0.517 | |
Rpim | 0.025 | 0.274 | |
Number of reflections | 22522 | ||
Completeness [%] | 99.8 | 90.7 | |
Redundancy | 4 | 3.3 | |
CC(1/2) | 0.992 | 0.794 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 25% PEG8K, 0.2M NaCl, 0.1M Hepes pH7.5, 10 % Glycerol |