2JAA
SeMet substituted Shigella Flexneri Ipad
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2006-03-11 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.838, 44.484, 100.310 |
| Unit cell angles | 90.00, 107.96, 90.00 |
Refinement procedure
| Resolution | 34.000 - 3.100 |
| R-factor | 0.2621 |
| Rwork | 0.262 |
| R-free | 0.27550 |
| Structure solution method | OTHER |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.554 |
| Data scaling software | SCALA |
| Phasing software | SHELXCD |
| Refinement software | TNT (5.6.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.900 | 3.270 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.100 | 0.310 |
| Number of reflections | 62274 | |
| <I/σ(I)> | 4.9 | 2.3 |
| Completeness [%] | 99.4 | 99.4 |
| Redundancy | 5.8 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 30%(V/V) PEG 400, 0.1 M TRIS-HCL PH 8.5, 0.2 M SODIUM CITRATE |
