7JJ8

Crystal structure of the Zn(II)-bound ZnuA-like domain of Streptococcus pneumoniae AdcA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-14
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.954
Spacegroup name	P 1
Unit cell lengths	60.372, 67.956, 79.622
Unit cell angles	92.28, 104.70, 115.96

Refinement procedure

Resolution	19.360 - 2.030
R-factor	0.170294108042
Rwork	0.169
R-free	0.21282
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2osv
RMSD bond length	0.007
RMSD bond angle	0.979
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.360	2.100
High resolution limit [Å]	2.030	2.030
Rmerge	0.108	0.804
Number of reflections	68710	6809
<I/σ(I)>	8.6
Completeness [%]	98.2
Redundancy	3.9
CC(1/2)	0.990	0.660

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	12.5% (w/v) polyethylene glycol 1000, 12.5% (w/v) PEG 3350, 12.5% (v/v) 2-methyl-2,4-pentanediol, 0.03 M MgCl2, 0.03 M CaCl2, 0.1 M imidazole-MES, pH 6.5