7LM5

Crystal structure of the Zn(II)-bound AdcAII H65A 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	2017-05-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.954
Spacegroup name	C 1 2 1
Unit cell lengths	46.229, 71.979, 81.914
Unit cell angles	90.00, 95.45, 90.00

Refinement procedure

Resolution	36.160 - 2.400
R-factor	0.2271
Rwork	0.225
R-free	0.26860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cx3
RMSD bond length	0.005
RMSD bond angle	0.611
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]	36.160	2.490
High resolution limit [Å]	2.400	2.400
Rmerge		0.298
Number of reflections	10512	1013
<I/σ(I)>	16.9
Completeness [%]	99.6
Redundancy	7.5
CC(1/2)	0.998	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.1 M imidazole pH 8.0, 0.2 M zinc acetate, 20% (w/v) polyethylene glycol 3350