4A57
CRYSTAL STRUCTURE OF TOXOPLASMA GONDII NUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 3 (NTPDASE3)
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 | 88.960, 165.940, 97.510 |
Unit cell angles | 90.00, 97.03, 90.00 |
Refinement procedure
Resolution | 39.430 - 2.000 |
R-factor | 0.1745 |
Rwork | 0.174 |
R-free | 0.21030 |
Structure solution method | MIRAS |
Starting model (for MR) | NONE |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | autoSHARP |
Refinement software | BUSTER (2.8.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.390 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.100 | 0.510 |
Number of reflections | 183360 | |
<I/σ(I)> | 10.1 | 2.9 |
Completeness [%] | 97.9 | 97.9 |
Redundancy | 5.1 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | pH 6.5 |