8BL5

Crystal Structure of Sam0.2

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	2019-08-23
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9998
Spacegroup name	P 63 2 2
Unit cell lengths	77.807, 77.807, 78.164
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.080 - 2.650
Rwork	0.257
R-free	0.29820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	computational model
RMSD bond length	0.003
RMSD bond angle	1.219
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0266)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.080	2.810
High resolution limit [Å]	2.650	2.650
Rmerge	0.084	2.947
Number of reflections	4411	686
<I/σ(I)>	31.5	1.36
Completeness [%]	100.0	100
Redundancy	36.7	40.09
CC(1/2)	1.000	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	20% w/v PEG3350, 200 mM KSCN