6ZOV
ENTEROPEPTIDASE IN COMPLEX WITH COMPOUND 6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91587 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.925, 147.517, 147.518 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 104.310 - 2.190 |
R-factor | 0.2268 |
Rwork | 0.226 |
R-free | 0.25040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NONE |
RMSD bond length | 0.011 |
RMSD bond angle | 1.565 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 104.310 | 2.440 |
High resolution limit [Å] | 2.190 | 2.190 |
Rmerge | 0.107 | 0.487 |
Rmeas | 0.126 | 0.571 |
Number of reflections | 59929 | 16358 |
<I/σ(I)> | 9.59 | 2.91 |
Completeness [%] | 99.2 | 99.3 |
Redundancy | 3.7 | 3.7 |
CC(1/2) | 0.995 | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.25 | 293 | PEG20000 |