8RSL

Crystal structure of Staphylococcus aureus macrodomain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-19
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92000
Spacegroup name	P 1 21 1
Unit cell lengths	40.190, 139.400, 49.190
Unit cell angles	90.00, 93.76, 90.00

Refinement procedure

Resolution	49.084 - 1.940
Rwork	0.164
R-free	0.21320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.699
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.084	1.990
High resolution limit [Å]	1.940	1.940
Number of reflections	39007	2881
<I/σ(I)>	18.8	2.1
Completeness [%]	97.9
Redundancy	3.4
CC(1/2)	0.999	0.702

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	18.5% (v/v) PEG400, 12.5% (v/v) 1-propanol, 4% (v/v) glycerol