4A5B
Crystal structure of the C258S/C268S variant of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 1 (NTPDase1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 73.730, 150.400, 242.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.220 - 2.480 |
R-factor | 0.1767 |
Rwork | 0.176 |
R-free | 0.22580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.190 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | BUSTER (2.8.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.340 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.100 | 0.100 |
Number of reflections | 47598 | |
<I/σ(I)> | 11.9 | 3 |
Completeness [%] | 99.9 | 99.6 |
Redundancy | 4.4 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.2 | 100 MM TRIS PH 8.2, 50 MM MGCL2, 25% PENTAERYTHRITOL ETHOXYLATE (17/8 PO/OH), 2 MM AMPPNP AND 10 MM MAGNESIUM ACETATE |