7F5P
The crystal structure of VyPAL2-C214A, a dead mutant of VyPAL2 peptide asparaginyl ligase in form I
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.95373 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 95.000, 81.150, 47.650 |
Unit cell angles | 90.00, 113.62, 90.00 |
Refinement procedure
Resolution | 40.910 - 1.900 |
Rwork | 0.215 |
R-free | 0.24440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6idv |
RMSD bond length | 0.008 |
RMSD bond angle | 1.020 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.910 | 1.968 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 26508 | 2523 |
<I/σ(I)> | 8.85 | 0.68 |
Completeness [%] | 99.3 | 97.63 |
Redundancy | 26.5 | 19.2 |
CC(1/2) | 0.998 | 0.543 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2 M lithium sulfate, 0.1 M sodium acetate, pH 4.6, 30% PEG 8000 |