6LKO
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 | 2019-11-10 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.000030 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 44.550, 79.740, 135.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.310 - 2.000 |
R-factor | 0.1938 |
Rwork | 0.193 |
R-free | 0.20520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6l4v |
RMSD bond length | 0.013 |
RMSD bond angle | 1.343 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.310 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.093 | 1.076 |
Number of reflections | 60392 | 3230 |
<I/σ(I)> | 22.66 | |
Completeness [%] | 100.0 | |
Redundancy | 13 | |
CC(1/2) | 1.000 | 0.784 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20% v/v PEG 500* MME, 10 % w/v PEG 20000, 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 Sodium HEPES, MOPS (acid) |