6IIA
MexB in complex with LMNG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 |
| Unit cell lengths | 122.949, 134.343, 149.692 |
| Unit cell angles | 87.53, 70.20, 89.02 |
Refinement procedure
| Resolution | 140.730 - 2.910 |
| R-factor | 0.2361 |
| Rwork | 0.234 |
| R-free | 0.27770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w9i |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.662 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 140.730 | 100.000 | 2.950 |
| High resolution limit [Å] | 2.900 | 7.870 | 2.900 |
| Rmerge | 0.057 | 0.012 | 0.753 |
| Rmeas | 0.066 | 0.014 | 0.873 |
| Rpim | 0.033 | 0.007 | 0.441 |
| Number of reflections | 199569 | 9540 | 10011 |
| <I/σ(I)> | 12.6 | ||
| Completeness [%] | 98.9 | 94.6 | 98.7 |
| Redundancy | 3.9 | 3.6 | 3.9 |
| CC(1/2) | 0.999 | 0.786 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 50mM Na Acetate-HCl pH5.0, 300mM NaCl, 25% PEG400 |
