8RAI

Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis point mutant R90I complexed with phenylhydrazine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-02
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	C 1 2 1
Unit cell lengths	85.749, 72.750, 52.341
Unit cell angles	90.00, 100.77, 90.00

Refinement procedure

Resolution	20.820 - 2.000
R-factor	0.15801
Rwork	0.156
R-free	0.19626
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.684
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.820	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.060	0.281
Rmeas	0.066	0.304
Rpim	0.026	0.117
Total number of observations	141122	10310
Number of reflections	21415	1528
<I/σ(I)>	23	7.1
Completeness [%]	99.7
Redundancy	6.6	6.7
CC(1/2)	0.999	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288	45% (v/v) Tacsimate, 50 mM BISTRIS buffer, pH 7.0