6P82

Structure of P. aeruginosa ATCC27853 CdnD, Apo form 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	P 2 21 21
Unit cell lengths	104.589, 117.387, 147.804
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.923 - 2.050
R-factor	0.2142
Rwork	0.213
R-free	0.24260
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.825
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	147.800	2.080
High resolution limit [Å]	2.050	2.050
Rmerge	0.138	2.033
Rmeas	0.150	2.234
Rpim	0.058	0.906
Number of reflections	113653	5059
<I/σ(I)>	10.5	0.7
Completeness [%]	99.5	89.9
Redundancy	6.6	5.3
CC(1/2)	0.997	0.336

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES pH 7.5 and 1.8-2.0 M Ammonium sulfate