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 |
