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 |
