7B0R

In meso structure of the membrane integral lipoprotein intramolecular transacylase Lit from Bacillus cereus with H85R mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-04-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96862
Spacegroup name	C 1 2 1
Unit cell lengths	114.472, 44.871, 69.543
Unit cell angles	90.00, 121.06, 90.00

Refinement procedure

Resolution	40.800 - 2.200
Rwork	0.230
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7b0o
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1-3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.800	2.330
High resolution limit [Å]	2.200	2.200
Rmeas	0.150	1.420
Number of reflections	14531	1674
<I/σ(I)>	10.46	1.23
Completeness [%]	92.6
Redundancy	6.48
CC(1/2)	0.990	0.640

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	100 mM MES/NaOH, pH 6.0, 125-200 mM M lithium citrate tribasic tetrahydrate, and 36-44 %(v/v) PEG 400