6FMV

IMISX-EP of Hg-BacA soaking SIRAS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.9
Spacegroup name	C 2 2 2
Unit cell lengths	113.390, 144.370, 40.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.390 - 2.300
R-factor	0.1954
Rwork	0.194
R-free	0.22240
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXCD
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.390	2.360
High resolution limit [Å]	2.300	2.300
Rmeas	0.500	6.390
Number of reflections	15224	2127
<I/σ(I)>	9.85
Completeness [%]	100.0	100
Redundancy	16.95	14.09
CC(1/2)		0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	40 % PEG-400, 0.3-0.5 M ammonium citrate dibasic and 0.1 M sodium citrate pH 5.0