4A5A
Crystal structure of the C258S/C268S variant of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 3 (NTPDase3) in complex with magnesium and AMPPNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 71.953, 150.668, 486.988 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.850 |
R-factor | 0.23627 |
Rwork | 0.234 |
R-free | 0.28411 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a57 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.450 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0116) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.000 | 3.000 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.170 | 0.450 |
Number of reflections | 61587 | |
<I/σ(I)> | 5 | 5 |
Completeness [%] | 98.3 | 94.3 |
Redundancy | 3.7 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 100 MM KCL, 10 MM MGCL2, 50 MM TRIS PH 8.5, 30% PEG 400, 2 MM AMPPNP AND 10 MM MAGNESIUM ACETATE. |