2PH3
Crystal structure of 3-oxoacyl-[acyl carrier protein] reductase TTHA0415 from Thermus thermophilus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-01-31 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97240 |
| Spacegroup name | P 62 |
| Unit cell lengths | 76.525, 76.525, 137.562 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.670 - 1.910 |
| R-factor | 0.191 |
| Rwork | 0.189 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hq1 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.516 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SGXPRO |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.144 | |
| Number of reflections | 35274 | |
| <I/σ(I)> | 22.8 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 20.8 | 18.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 289 | 1.0 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN CONCENTRATE (9.5 mg/ml) AND SOLUTION CONTAINING 0.1 M Tris-HCl pH 8.5, 2.4 M di-Ammonium Phosphate, VAPOR DIFFUSION, temperature 289K |
