8QDD

Structure of mBaoJin at pH 8.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-19
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	45.590, 120.266, 52.903
Unit cell angles	90.00, 105.49, 90.00

Refinement procedure

Resolution	15.000 - 1.600
Rwork	0.185
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.991
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.470	1.660
High resolution limit [Å]	1.600	1.600
Number of reflections	72205	7279
<I/σ(I)>	14.5
Completeness [%]	96.2	95.4
Redundancy	2.8
CC(1/2)	0.990	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	PEG 3350, 0.2M Lithium Sulfate, 0.1M Tris-Cl pH 8.5