7XPS

Crystal structrue of MtdL:GDP: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	2021-10-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	98.694, 162.243, 116.496
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.850 - 2.100
R-factor	0.2257
Rwork	0.224
R-free	0.26740
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]	19.850	19.850	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.134	0.025	0.936
Rmeas	0.140	0.026	0.972
Rpim	0.038	0.007	0.261
Total number of observations	723926	8478	60842
Number of reflections	54465	707	4457
<I/σ(I)>	15.2	55.8	2.8
Completeness [%]	99.5	89.4	99.9
Redundancy	13.3	12	13.7
CC(1/2)	0.999	1.000	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	0.2 M ammonium sulfate, 0.1 M tri-sodium citrate, pH 5.6, 15% (w/v) PEG 4000