4ZM5
Shigella flexneri lipopolysaccharide O-antigen chain-length regulator WzzBSF - A107P mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.570, 62.460, 90.240 |
| Unit cell angles | 90.00, 94.06, 90.00 |
Refinement procedure
| Resolution | 32.140 - 2.470 |
| R-factor | 0.1975 |
| Rwork | 0.195 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b8p |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.080 |
| Data reduction software | XDS (July 4, 2012) |
| Data scaling software | XSCALE (July 4, 2012) |
| Phasing software | PHASER (2.3.0) |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.010 | 2.060 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.223 | |
| Number of reflections | 57620 | |
| <I/σ(I)> | 4.1 | 0.2 |
| Completeness [%] | 96.7 | 82 |
| Redundancy | 3.1 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 293.15 | 18% peg400, 18% peg8k, 0.1M MgCl2, 0.1 M citric-acid/HEPES/CHES buffer (pH 7.3) |
