8Q79

Structure of mBaoJin at pH 6.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97861
Spacegroup name	P 1 21 1
Unit cell lengths	45.500, 120.310, 52.800
Unit cell angles	90.00, 105.95, 90.00

Refinement procedure

Resolution	15.000 - 1.450
Rwork	0.123
R-free	0.16250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.901
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.490
High resolution limit [Å]	1.450	1.450
Number of reflections	94189	5529
<I/σ(I)>	15.8
Completeness [%]	97.7
Redundancy	6.3
CC(1/2)	0.990	0.671

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	288	PEG8000, 0.1M NH4Acetate, 0.1M Na Cocadilate pH 6.5