7CTO

Staphylococcus aureus MsrB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	114.825, 122.190, 73.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.680 - 3.470
R-factor	0.2216
Rwork	0.216
R-free	0.32330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e0o
RMSD bond length	0.007
RMSD bond angle	1.675
Data reduction software	Aimless
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.680	3.800
High resolution limit [Å]	3.470	3.470
Rmerge	0.095	0.508
Number of reflections	13922	3257
<I/σ(I)>	32
Completeness [%]	100.0
Redundancy	27
CC(1/2)	1.000	0.967

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% (w/v) PEG 8K, 3% MPD, and 0.1 M Imidazole (pH 6.5)