4NVR
2.22 Angstrom Resolution Crystal Structure of a Putative Acyltransferase from Salmonella enterica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.931, 71.380, 90.327 |
| Unit cell angles | 113.03, 92.41, 90.09 |
Refinement procedure
| Resolution | 28.630 - 2.220 |
| R-factor | 0.18431 |
| Rwork | 0.181 |
| R-free | 0.24143 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.566 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0046) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.260 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.120 | 0.458 |
| Number of reflections | 53580 | |
| <I/σ(I)> | 19.4 | 3.6 |
| Completeness [%] | 98.2 | 92.3 |
| Redundancy | 5.8 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | Protein: 8.8mg/mL, 0.3M Sodium cloride, 0.1M HEPES, pH 7.5. Screen: 0.2M Calcium acetate, 0.1M Na Cacodylate, pH 6.5, 9% (w/v) PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
