6ST5

crystal structure of LicM2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-24
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979568
Spacegroup name	P 21 21 21
Unit cell lengths	78.365, 128.408, 141.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.500 - 2.820
R-factor	0.225
Rwork	0.224
R-free	0.27200
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXDE
Refinement software	PHENIX (1.11.1-2575_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.503	2.920
High resolution limit [Å]	2.817	2.820
Rmerge	0.190	0.299
Number of reflections	35085	3435
<I/σ(I)>	8.96	0.55
Completeness [%]	99.7
Redundancy	13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M MgCl2, 0.1 M MOPS, 12% PEG 8000