2J0O
Shigella Flexneri IpaD
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 | 2004-12-04 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.867, 100.693, 111.993 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.000 |
| R-factor | 0.235 |
| Rwork | 0.235 |
| Structure solution method | MIRAS |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.590 |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | TNT (5.6.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.140 | 0.480 |
| Number of reflections | 14594 | |
| <I/σ(I)> | 3.9 | 1.6 |
| Completeness [%] | 90.1 | 68.2 |
| Redundancy | 7 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 25-28 % (W/V) PEG 4000, 0.1 M TRIS-HCL, PH 8.5, 0.2 M MGCL2 |
