8IVP

Crystal structure of MV in complex with LLP and FRU from Mycobacterium vanbaalenii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	80.707, 112.243, 92.098
Unit cell angles	90.00, 112.31, 90.00

Refinement procedure

Resolution	45.140 - 1.930
R-factor	0.153
Rwork	0.151
R-free	0.18800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.678
Data reduction software	HKL-2000
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	1.990
High resolution limit [Å]	1.920	4.140	1.920
Rmerge	0.115	0.048	0.545
Rmeas	0.126	0.052	0.595
Rpim	0.050	0.021	0.232
Total number of observations	668005
Number of reflections	106452	11300	10275
<I/σ(I)>	11.1
Completeness [%]	93.2	97.4	90.6
Redundancy	6.3	6.5	6.2
CC(1/2)	0.991	0.996	0.767

Crystallization Conditions

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