1XR4
X-ray crystal structure of putative citrate lyase alpha chain/citrate-ACP transferase [Salmonella typhimurium]
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-03-27 |
| Detector | SBC-3 |
| Wavelength(s) | 0.979565 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.374, 116.701, 189.694 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.370 |
| R-factor | 0.19084 |
| Rwork | 0.193 |
| R-free | 0.23480 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.402 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.470 |
| High resolution limit [Å] | 2.370 | 2.400 |
| Rmerge | 0.184 | 0.524 |
| Number of reflections | 49002 | |
| <I/σ(I)> | 13.34 | 1.85 |
| Completeness [%] | 91.7 | 51.5 |
| Redundancy | 12.1 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 294 | Tris_HCl, PEG 8000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
