6GRI
E. coli Microcin synthetase McbBCD complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 183.900, 82.110, 87.530 |
| Unit cell angles | 90.00, 91.45, 90.00 |
Refinement procedure
| Resolution | 91.920 - 2.700 |
| R-factor | 0.19 |
| Rwork | 0.186 |
| R-free | 0.25480 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6gos |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.238 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.26) |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 91.920 | 91.920 | 2.770 |
| High resolution limit [Å] | 2.700 | 12.070 | 2.700 |
| Rmerge | 0.118 | 0.029 | 1.660 |
| Rmeas | 0.128 | 0.032 | 1.801 |
| Rpim | 0.049 | 0.013 | 0.693 |
| Total number of observations | 245530 | ||
| Number of reflections | 35976 | 432 | 2618 |
| <I/σ(I)> | 13.1 | ||
| Completeness [%] | 99.9 | 99.1 | 99.8 |
| Redundancy | 6.8 | 6.1 | 6.7 |
| CC(1/2) | 0.998 | 0.999 | 0.436 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | NULL |
