7LM6

Crystal structure of the Zn(II)-bound AdcAII H205L mutant variant of Streptococcus pneumoniae

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	PIXEL
Collection date	2017-04-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.954
Spacegroup name	P 65 2 2
Unit cell lengths	119.792, 119.792, 169.503
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.619 - 3.367
R-factor	0.2309
Rwork	0.229
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cx3
RMSD bond length	0.003
RMSD bond angle	0.528
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.620	3.640
High resolution limit [Å]	3.367	3.367
Rmerge	0.192	0.581
Number of reflections	10715	2118
<I/σ(I)>	15
Completeness [%]	99.5
Redundancy	15.6
CC(1/2)	0.997	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M zinc acetate, 20% (w/v) polyethylene glycol 3350