9QC2

BV333 aminotransferase from Streptomyces sp. mutant W89A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	113.15
Detector technology	PIXEL
Collection date	2023-05-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.852
Spacegroup name	P 1
Unit cell lengths	63.825, 90.242, 99.446
Unit cell angles	66.94, 73.26, 69.64

Refinement procedure

Resolution	80.020 - 1.240
Rwork	0.171
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.849
Data reduction software	DIALS (3.7)
Data scaling software	DIALS (3.7)
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.020	1.260
High resolution limit [Å]	1.240	1.240
Rmeas	0.110	2.822
Number of reflections	515140	506909
<I/σ(I)>	13.7	0.5
Completeness [%]	94.8	93
Redundancy	3.6	3.7
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		292.15	Morpheus Fusion Screen A7