5NJ9
E. coli Microcin-processing metalloprotease TldD/E with DRVY angiotensin fragment bound
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 | 2015-08-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.630, 173.530, 82.860 |
| Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
| Resolution | 74.770 - 1.250 |
| R-factor | 0.151 |
| Rwork | 0.149 |
| R-free | 0.18220 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5nj5 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.519 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.12) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.770 | 74.770 | 1.280 |
| High resolution limit [Å] | 1.250 | 5.590 | 1.250 |
| Rmerge | 0.134 | 0.052 | 1.884 |
| Rmeas | 0.145 | 0.056 | 2.057 |
| Rpim | 0.056 | 0.021 | 0.814 |
| Total number of observations | 3363286 | ||
| Number of reflections | 500650 | ||
| <I/σ(I)> | 8.5 | ||
| Completeness [%] | 99.9 | 99.7 | 99.7 |
| Redundancy | 6.7 | 6.8 | 6.2 |
| CC(1/2) | 0.998 | 0.998 | 0.296 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | NULL |
