7PK2

Bovine Glycine N-Acyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	93
Detector technology	PIXEL
Collection date	2020-10-15
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	63.112, 63.587, 135.503
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.370 - 1.250
R-factor	0.1779
Rwork	0.177
R-free	0.19970
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.754
Data reduction software	xia2
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.370	1.830	1.250
High resolution limit [Å]	1.250	1.800	1.250
Rmerge	0.043
Rmeas	0.047
Rpim	0.018
Number of reflections	146947	1675	6625
<I/σ(I)>	16.2	0.8	1.18
Completeness [%]	97.2
Redundancy	6.8
CC(1/2)	1.000	0.400	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M sodium malonate, 20% w/v polyethylene glycol 3,350, pH 5.0
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M sodium malonate, 20% w/v polyethylene glycol 3,350, pH 5.0