6H8L

Structure of peptidoglycan deacetylase PdaC from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	55.346, 61.916, 132.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.070 - 1.540
R-factor	0.1759
Rwork	0.175
R-free	0.19440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c1g
RMSD bond length	0.005
RMSD bond angle	0.789
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.070	1.590
High resolution limit [Å]	1.540	1.540
Rmerge	0.088	0.814
Rmeas	0.096	0.882
Number of reflections	67783	6689
<I/σ(I)>	11.39	2.04
Completeness [%]	100.0	100
Redundancy	6.5	6.7
CC(1/2)	0.998	0.713

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	293	0.2 M ammonium tartrate dibasic pH 6.6, 20% (w/v) polyethylene glycol 3.350