8DQN
Crystal structure of isoaspartyl dipeptidase from Leucothrix mucor DSM2157
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-24 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 153.493, 163.691, 170.453 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 118.340 - 1.800 |
R-factor | 0.16724 |
Rwork | 0.166 |
R-free | 0.18695 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.614 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 118.340 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.100 | 0.868 |
Number of reflections | 386931 | 38129 |
<I/σ(I)> | 9.68 | 0.56 |
Completeness [%] | 98.2 | 97.5 |
Redundancy | 13.6 | 13.2 |
CC(1/2) | 0.999 | 0.895 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.56 M NaH2PO4 and 1.04 M K2HPO4 |