6SYM

Crystal structure of Escherichia coli MsrB (reduced form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.28
Spacegroup name	P 21 21 21
Unit cell lengths	53.390, 56.270, 85.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.042 - 1.630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	model obtained from Phyre2
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14-3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	7.290	1.670
High resolution limit [Å]	1.630	7.290	1.630
Rmerge	0.139	0.069	1.215
Rmeas	0.150	0.073	1.643
Number of reflections	61381	694	4140
<I/σ(I)>	8.47	26.34	0.69
Completeness [%]	98.7	100	89.4
Redundancy	6.776	8.441	1.677
CC(1/2)	0.996	0.993	0.305

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277.15	0.1M sodium cacodylate pH 6, 30% PEG 2K MME, 0.2M MgCl2