2YJ5

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	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	54.020, 76.180, 137.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.065 - 2.400
R-factor	0.2397
Rwork	0.237
R-free	0.28640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iye
RMSD bond length	0.010
RMSD bond angle	1.258
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]	44.070	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.070	0.490
Number of reflections	22848
<I/σ(I)>	26.52	2.86
Completeness [%]	99.6	97.9
Redundancy	12	3.8

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
1				0.1 M NA ACETATE PH 4.5, 0.2 M NA CHLORIDE, 10 % PEG 4000