6OSU
Crystal Structure of the D-alanyl-D-alanine carboxypeptidase DacD from Francisella tularensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-03-06 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 40.780, 131.570, 46.060 |
Unit cell angles | 90.00, 107.36, 90.00 |
Refinement procedure
Resolution | 33.498 - 2.440 |
R-factor | 0.1846 |
Rwork | 0.182 |
R-free | 0.22920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDBID 4K91 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.555 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.500 | 2.480 |
High resolution limit [Å] | 2.440 | 2.440 |
Rmerge | 0.084 | |
Number of reflections | 17114 | 781 |
<I/σ(I)> | 13.4 | |
Completeness [%] | 99.4 | |
Redundancy | 6.8 | |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 10 %(w/v) PEG 6000, 0.1 M calcium chloride, 0.1 M Hepes pH 7.5, 10 mM Penicillin G |