4INJ
Crystal structure of the S111A mutant of member of MccF clade from Listeria monocytogenes EGD-e with product
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 92.242, 92.242, 205.776 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.320 - 2.400 |
| R-factor | 0.19281 |
| Rwork | 0.190 |
| R-free | 0.24290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4h1h |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.678 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.900 | |
| Number of reflections | 34854 | |
| <I/σ(I)> | 17 | |
| Completeness [%] | 97.3 | 99 |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 35%MPD, imidazole, 0.1 MgCl2, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
