8ISC

Crystal structure of MV in complex with LLP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-25
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	80.950, 112.850, 92.244
Unit cell angles	90.00, 112.37, 90.00

Refinement procedure

Resolution	39.930 - 2.270
R-factor	0.19283
Rwork	0.190
R-free	0.24828
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.582
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.350
High resolution limit [Å]	2.270	4.890	2.270
Rmerge	0.122	0.056	0.455
Rmeas	0.136	0.062	0.509
Rpim	0.059	0.026	0.224
Total number of observations	358730
Number of reflections	66664	7012	6865
<I/σ(I)>	11.3
Completeness [%]	95.0	97.9	97.9
Redundancy	5.4	5.9	5
CC(1/2)	0.991	0.997	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M lithium sulfate,0.1 M Tris 8.5,1.26 M ammonium sulfate