7JJ9

Crystal structure of Zn(II)-bound AdcA from Streptococcus pneumoniae

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	2014-07-10
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.954
Spacegroup name	P 1 21 1
Unit cell lengths	60.109, 44.362, 92.627
Unit cell angles	90.00, 106.83, 90.00

Refinement procedure

Resolution	19.830 - 1.580
R-factor	0.166
Rwork	0.164
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2osv
RMSD bond length	0.009
RMSD bond angle	0.949
Data reduction software	Aimless
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.840	1.610
High resolution limit [Å]	1.580	1.580
Rmerge	0.096	0.843
Number of reflections	64356	275
<I/σ(I)>	15.9
Completeness [%]	99.9
Redundancy	7.4
CC(1/2)	0.990	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	10% w/v polyethylene glycol 20000, 18% v/v PEG monomethyl ether 550, 0.03 M CaCl2, 0.03 M MgCl2, 0.1 M MES/imidazole pH 6.5