4ZM1
Shigella flexneri lipopolysaccharide O-antigen chain-length regulator WzzBSF - wild type
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-14 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.890, 61.310, 90.860 |
| Unit cell angles | 90.00, 94.21, 90.00 |
Refinement procedure
| Resolution | 31.680 - 2.550 |
| R-factor | 0.1948 |
| Rwork | 0.193 |
| R-free | 0.22450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b8p |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS (July 4, 2012) |
| Data scaling software | XSCALE (July 4, 2012) |
| Phasing software | PHENIX (2.4.0) |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.630 | 2.510 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Rmerge | 0.106 | 1.282 |
| Number of reflections | 28733 | |
| <I/σ(I)> | 8.5 | 0.9 |
| Completeness [%] | 93.7 | 61 |
| Redundancy | 3.8 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.7 | 293.15 | 12.5mg/mL protein, 15% PEG400, 15% Peg 8000, 0.1M MgCl, pH 7.7 (0.1M Newman buffer Citric Acid:HEPES:CHES) |
