6L6G

Crystal structure of SeMet_Lpg0189

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97861
Spacegroup name	P 32 2 1
Unit cell lengths	121.685, 121.685, 104.395
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.774 - 1.980
R-factor	0.1767
Rwork	0.175
R-free	0.21560
Structure solution method	SAD
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	AutoSol
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.050
High resolution limit [Å]	1.980	1.980
Number of reflections	62484	6156
<I/σ(I)>	33.3
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)	1.000	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287	0.8M Ammonium citrate dibasic, 0.1M Sodium acetate trihydrate pH 4.6