6H8N

Structure of peptidoglycan deacetylase PdaC from Bacillus subtilis - mutant D285S

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	55.420, 61.800, 130.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.116 - 1.260
R-factor	0.1607
Rwork	0.160
R-free	0.17450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6h8l
RMSD bond length	0.007
RMSD bond angle	0.977
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((dev_2219: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.110	1.300
High resolution limit [Å]	1.260	1.260
Rmerge	0.068	0.483
Rmeas	0.074	0.595
Number of reflections	120462	10846
<I/σ(I)>	11.01	1.74
Completeness [%]	99.0	89
Redundancy	5.7	2.8
CC(1/2)	0.999	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.4 M Ammonium phosphate monobasic