6P8J

Structure of P. aeruginosa ATCC27853 CdnD D62N/D64N mutant bound to ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	46.484, 152.166, 88.255
Unit cell angles	90.00, 90.12, 90.00

Refinement procedure

Resolution	88.260 - 1.470
R-factor	0.197
Rwork	0.195
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6p82
RMSD bond length	0.009
RMSD bond angle	1.116
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.560
High resolution limit [Å]	1.470	1.470
Rmerge	0.088	0.948
Rmeas	0.104	1.143
Number of reflections	201994	31103
<I/σ(I)>	9.7	0.97
Completeness [%]	97.4	92.7
Redundancy	3.4	3.1
CC(1/2)	0.996	0.356

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1 M Tris pH 8.5, 0.2 M sodium formate, and 20-22% PEG 6000