2YJ4

Conformational changes in the catalytic domain of the CPx-ATPase CopB- B upon nucleotide binding

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS
Spacegroup name	P 21 21 21
Unit cell lengths	52.120, 75.150, 133.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.571 - 2.400
R-factor	0.2229
Rwork	0.220
R-free	0.27310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iye
RMSD bond length	0.008
RMSD bond angle	1.260
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.570	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.060	0.370
Number of reflections	21225
<I/σ(I)>	18.68	4.47
Completeness [%]	99.8	100
Redundancy	6.5	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.1 M NA ACETATE PH 4.5, 0.2 M NA CHLORIDE, 10% PEG 4000.