3H0P
2.0 Angstrom Crystal Structure of an Acyl Carrier Protein S-malonyltransferase from Salmonella typhimurium.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.98011 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.589, 92.169, 77.075 |
| Unit cell angles | 90.00, 92.84, 90.00 |
Refinement procedure
| Resolution | 29.540 - 2.000 |
| R-factor | 0.19246 |
| Rwork | 0.190 |
| R-free | 0.24340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g2y |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.260 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.096 | 0.482 |
| Number of reflections | 41818 | |
| <I/σ(I)> | 16.6 | 3.7 |
| Completeness [%] | 95.5 | 97.8 |
| Redundancy | 5.3 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | Protein Solution: 0.3M NaCl, 10mM HEPES (pH 7.5); Screen Solution: 1M Lithium Sulphate, 0.1M Bis-Tris-Propane HCl (pH 7.0), VAPOR DIFFUSION, HANGING DROP, temperature 295K |
