7XPU

crystal structure of MtdL-S228A-His soaked GDP-Fucp 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	98.189, 162.548, 115.662
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.120 - 2.200
R-factor	0.2397
Rwork	0.238
R-free	0.27980
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 (1.11)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.640	47.640	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.158	0.035	0.990
Rmeas	0.167	0.037	1.049
Rpim	0.054	0.013	0.340
Total number of observations	435511	5654	37223
Number of reflections	46848	732	4034
<I/σ(I)>	9.9	29.1	2.3
Completeness [%]	99.3	96.8	99.2
Redundancy	9.3	7.7	9.2
CC(1/2)	0.998	0.999	0.916

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