6P80

Structure of E. coli MS115-1 CdnC + 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	2017-04-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 32 2 1
Unit cell lengths	76.184, 76.184, 100.498
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.227 - 1.500
R-factor	0.1569
Rwork	0.155
R-free	0.18890
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.146
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.230	1.460
High resolution limit [Å]	1.440	1.440
Rmerge	0.029	1.429
Rmeas	0.034	1.776
Rpim	0.019	1.040
Number of reflections	60488	2932
<I/σ(I)>	15	0.6
Completeness [%]	98.6	96.8
Redundancy	3	2.7
CC(1/2)	1.000	0.263

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.1	293	20 mM HEPES pH 8.1, 10-12% PEG 4000, 100 mM NaCl, 10 mM MgCl2