7JJB

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-03
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.954
Spacegroup name	P 21 2 21
Unit cell lengths	44.251, 50.091, 87.215
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.720 - 1.100
R-factor	0.147950940525
Rwork	0.147
R-free	0.16728
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oek
RMSD bond length	0.007
RMSD bond angle	0.896
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.720	1.140
High resolution limit [Å]	1.100	1.100
Rmerge	0.030	0.290
Number of reflections	79405	7855
<I/σ(I)>	13.2
Completeness [%]	100.0
Redundancy	2
CC(1/2)	0.990	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	0.1 M sodium acetate, pH 4.5, 30 % (w/v) PEG MME 5000