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