3FID
LpxR from Salmonella typhimurium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 106.930, 127.650, 60.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.740 - 1.900 |
| R-factor | 0.19266 |
| Rwork | 0.191 |
| R-free | 0.22959 |
| Structure solution method | SAD and DMMULTI using P21212 and P2 crystal |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.536 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.740 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.159 | 0.805 |
| Number of reflections | 66190 | |
| <I/σ(I)> | 14.7 | 3.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.9 | 15 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 291 | 14% PEG 6000 (w/v), 10% glycerol (v/v), 50mM Tris-HCl, 5mM zinc chloride, pH 8.5, VAPOR DIFFUSION, temperature 291K |
