2YJ3

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 6M
Spacegroup name	P 21 21 2
Unit cell lengths	71.980, 52.590, 68.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.464 - 2.200
R-factor	0.2226
Rwork	0.219
R-free	0.28360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iye
RMSD bond length	0.007
RMSD bond angle	0.978
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]	42.460	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.120	0.630
Number of reflections	13783
<I/σ(I)>	14.37	4.31
Completeness [%]	99.0	100
Redundancy	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.1 M NA-CACODYLATE PH 6.5, 0.2 M AMMONIUM SULFATE, 17 % PEG 6000.