3R96
Crystal structure of Microcin C7 self immunity acetyltransferase MccE in complex with Acetyl-CoA and AMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 78.528, 94.947, 53.294 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.300 |
| R-factor | 0.1772 |
| Rwork | 0.176 |
| R-free | 0.19660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.359 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0056) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.350 |
| High resolution limit [Å] | 1.300 | 2.800 | 1.300 |
| Rmerge | 0.065 | 0.048 | 0.235 |
| Number of reflections | 98415 | ||
| <I/σ(I)> | 13.5 | ||
| Completeness [%] | 99.8 | 98.4 | 100 |
| Redundancy | 12.1 | 11.5 | 11.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 7 | 282 | PEG550MME, MgCl2, pH 7.0, hanging drop, temperature 282K |
