4F2F

Crystal structure of the metal binding domain (MBD) of the Streptococcus pneumoniae D39 Cu(I) exporting P-type ATPase CopA with Cu(I)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	93
Detector technology	CCD
Collection date	2011-04-22
Detector	NOIR-1
Wavelength(s)	1.37757
Spacegroup name	P 21 21 21
Unit cell lengths	35.455, 37.329, 69.294
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.645 - 1.500
R-factor	0.2166
Rwork	0.213
R-free	0.24300
Structure solution method	SAD
RMSD bond length	0.020
RMSD bond angle	0.766
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.480
High resolution limit [Å]	1.450	3.940	1.450
Rmerge	0.035	0.023	0.363
Number of reflections	16813
<I/σ(I)>	43	48.7	6.3
Completeness [%]	99.9	99.1	100
Redundancy	11.4	11.8	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	28% w/v PEG2000 MME, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	28% w/v PEG2000 MME, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K