2CA5
MxiH needle protein of Shigella Flexneri (monomeric form, residues 1- 78)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-31 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 183.203, 28.123, 27.723 |
| Unit cell angles | 90.00, 96.47, 90.00 |
Refinement procedure
| Resolution | 28.000 - 2.100 |
| R-factor | 0.194 |
| Rwork | 0.194 |
| Structure solution method | MIRAS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.879 |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | TNT (5.6.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.000 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.070 | 0.250 |
| Number of reflections | 8232 | |
| <I/σ(I)> | 7.7 | 2.9 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 20% PEG 4000, 0.1 M SODIUM CITRATE PH 5.6, 20% ISOPROPANOL, 10% GLYCEROL |
