7PK0

Bovine Glycine N-Acyltransferase complexed with Benzoyl-CoA

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	2020-10-16
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	P 43 21 2
Unit cell lengths	63.840, 63.840, 135.336
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.440 - 1.500
R-factor	0.1823
Rwork	0.181
R-free	0.21090
Structure solution method	AB INITIO PHASING
RMSD bond length	0.011
RMSD bond angle	1.655
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.440	1.520
High resolution limit [Å]	1.500	1.500
Rmerge	0.069
Rmeas	0.072	2.400
Rpim	0.020
Number of reflections	45806	2318
<I/σ(I)>	15	1.21
Completeness [%]	100.0
Redundancy	13
CC(1/2)	1.000	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	1 M sodium acetate, 30% v/v polyethylene glycol 300, pH 4.5