4F2E

Crystal structure of the Streptococcus pneumoniae D39 copper chaperone CupA with Cu(I)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	2011-06-25
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 21 21 2
Unit cell lengths	47.208, 78.647, 23.455
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.005 - 1.449
R-factor	0.18
Rwork	0.178
R-free	0.19980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	0.913
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]	1.449	3.940	1.449
Rmerge	0.024	0.017	0.183
Number of reflections	16187
<I/σ(I)>	46.5	70	8.2
Completeness [%]	99.8	98.5	99.5
Redundancy	6.6	6.3	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	30% w/v PEG3350, 0.1 M sodium citrate tribasic dihydrate, pH 5.0, Deoxy Big CHAP, VAPOR DIFFUSION, HANGING DROP, temperature 293K