5NJC
E. coli Microcin-processing metalloprotease TldD/E (TldD E263A mutant) with hexapeptide bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-03 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9282 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.290, 175.440, 84.330 |
Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
Resolution | 65.290 - 1.350 |
R-factor | 0.1468 |
Rwork | 0.145 |
R-free | 0.18280 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5nj5 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.380 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.15) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 65.290 | 65.290 | 1.390 |
High resolution limit [Å] | 1.350 | 6.040 | 1.350 |
Rmerge | 0.067 | 0.023 | 1.623 |
Rmeas | 0.073 | 0.024 | 1.755 |
Rpim | 0.028 | 0.009 | 0.660 |
Number of reflections | 403735 | ||
<I/σ(I)> | 17 | ||
Completeness [%] | 97.7 | 99.8 | 94.6 |
Redundancy | 6.9 | 7.4 | 6.9 |
CC(1/2) | 0.999 | 0.992 | 0.429 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | NULL |