7FA0
The crystal structure of VyPAL2-C214A, a dead mutant of VyPAL2 peptide asparaginyl ligase in form II
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00001 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.495, 78.546, 92.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.330 - 1.800 |
R-factor | 0.1688 |
Rwork | 0.164 |
R-free | 0.19440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6idv |
RMSD bond length | 0.008 |
RMSD bond angle | 0.960 |
Data reduction software | autoPROC |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.330 | 1.864 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.091 | 1.008 |
Rmeas | 0.099 | 1.100 |
Rpim | 0.038 | 0.434 |
Number of reflections | 51971 | 5111 |
<I/σ(I)> | 12.65 | 2.12 |
Completeness [%] | 99.1 | 98.35 |
Redundancy | 6.7 | 6.2 |
CC(1/2) | 0.997 | 0.698 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2 M Potassium formate, 20% PEG 3350 |