4A59
Crystal structure of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 3 (NTPDase3) in complex with AMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.170, 166.030, 97.940 |
Unit cell angles | 90.00, 97.15, 90.00 |
Refinement procedure
Resolution | 42.300 - 2.200 |
R-factor | 0.1802 |
Rwork | 0.180 |
R-free | 0.22770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a57 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.140 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | BUSTER (2.8.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.400 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.080 | 0.080 |
Number of reflections | 142618 | |
<I/σ(I)> | 7.6 | 2 |
Completeness [%] | 96.9 | 93.3 |
Redundancy | 3 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | pH 6.5 |