9BFA

BCAT mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-12
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	110.284, 115.630, 149.413
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.445 - 1.786
Rwork	0.232
R-free	0.26790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.665
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.445	1.816
High resolution limit [Å]	1.786	1.786
Number of reflections	496484	102468
<I/σ(I)>	6.3
Completeness [%]	82.1
Redundancy	11.4
CC(1/2)	0.995	0.340

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	18% PEG 3350, 200 mM MgCl2