7XPR

Crystal structrue of SeMet-MtdL:GDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	162.213, 97.483, 57.923
Unit cell angles	90.00, 97.32, 90.00

Refinement procedure

Resolution	19.770 - 2.100
R-factor	0.2123
Rwork	0.211
R-free	0.24290
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	SHELXCD
Refinement software	PHENIX (1.11)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	83.373	19.770	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge		0.045	0.825
Rmeas	0.136	0.059	0.982
Rpim	0.051	0.023	0.380
Total number of observations	353130	10271	48183
Number of reflections	51416	1593	7407
<I/σ(I)>	10.8	29.6	2.2
Completeness [%]	98.7	93.6	98.2
Redundancy	6.9	6.4	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	1.0 M lithium chloride, 0.1 M citric acid, pH 5.0, 10% (w/v) PEG6000