6L4W
Turning an asparaginyl endopeptidase into a peptide ligase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-28 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.918820 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 79.150, 135.590, 44.610 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.790 - 1.660 |
R-factor | 0.2076 |
Rwork | 0.206 |
R-free | 0.23420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6l4v |
RMSD bond length | 0.008 |
RMSD bond angle | 0.960 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.3 (3-OCT-2019)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.790 | 1.720 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmerge | 0.078 | 1.722 |
Number of reflections | 56975 | |
<I/σ(I)> | 13.9 | |
Completeness [%] | 98.5 | |
Redundancy | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.2 | 298 | 0.1M Sodium formate; 0.1M Ammonium acetate; 0.1M Sodium citrate tribasic dihydrate; 0.1M Potassium sodium tartrate tetrahydrate; 0.1M Sodium oxamate 0.1M HEPES, 0.1M MOPS, 10% Ethylen Glycol, 8% PEG8000 |