6GRG
E. coli Microcin synthetase McbBCD complex with pro-MccB17, ADP and phosphate bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 180.640, 83.280, 86.790 |
| Unit cell angles | 90.00, 91.43, 90.00 |
Refinement procedure
| Resolution | 86.760 - 2.350 |
| R-factor | 0.1683 |
| Rwork | 0.165 |
| R-free | 0.22590 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6gos |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.438 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 86.760 | 86.760 | 2.410 |
| High resolution limit [Å] | 2.350 | 10.510 | 2.350 |
| Rmerge | 0.140 | 0.030 | 1.641 |
| Rmeas | 0.150 | 0.032 | 1.763 |
| Rpim | 0.054 | 0.012 | 0.635 |
| Total number of observations | 409359 | ||
| Number of reflections | 53732 | 641 | 3965 |
| <I/σ(I)> | 11.6 | ||
| Completeness [%] | 99.9 | 99.3 | 99.5 |
| Redundancy | 7.6 | 6.9 | 7.5 |
| CC(1/2) | 0.998 | 0.999 | 0.422 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | NULL |
