7XPV

crysteal structure of MtdL-S228A-His soaked with GDP-Fucf and Mn

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	2021-05-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	98.135, 162.670, 114.927
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.930 - 2.400
R-factor	0.2594
Rwork	0.258
R-free	0.29280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7xpr
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.930	46.930	2.490
High resolution limit [Å]	2.400	8.980	2.400
Rmerge	0.157	0.034	1.387
Rmeas	0.163	0.036	1.440
Rpim	0.045	0.010	0.386
Total number of observations	478202	8691	51648
Number of reflections	36272	772	3759
<I/σ(I)>	12.1	38.3	2.2
Completeness [%]	99.9	98.9	99.9
Redundancy	13.2	11.3	13.7
CC(1/2)	0.999	1.000	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	0.2 M ammonium sulfate, 0.1 M Tris, pH 7.5, 20% (w/v) PEG 5000 MME