3NJ8
Crystal structure of T. gondii enoyl acyl carrier protein reductase with bound triclosan like inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX14.1 |
Synchrotron site | SRS |
Beamline | PX14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-04 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.960000 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 78.256, 78.256, 189.077 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.700 |
R-factor | 0.27587 |
Rwork | 0.274 |
R-free | 0.32158 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.794 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.050 |
High resolution limit [Å] | 2.000 | 4.680 | 2.000 |
Rmerge | 0.380 | ||
Number of reflections | 16525 | ||
Completeness [%] | 50.0 | 99.5 | 7.3 |
Redundancy | 3.3 | 1.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 290 | 0.1M Tris-HCL, PEG 8000, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |