5OCE

THE MOLECULAR MECHANISM OF SUBSTRATE RECOGNITION AND CATALYSIS OF THE MEMBRANE ACYLTRANSFERASE PatA -- Complex of PatA with palmitate, mannose, and palmitoyl-6-mannose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 1 21 1
Unit cell lengths	70.690, 83.860, 98.430
Unit cell angles	90.00, 110.98, 90.00

Refinement procedure

Resolution	28.770 - 2.410
R-factor	0.1887
Rwork	0.182
R-free	0.21270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f2t
RMSD bond length	0.002
RMSD bond angle	0.561
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((dev_2219))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.770	2.500
High resolution limit [Å]	2.410	2.410
Rmerge	0.113	0.494
Number of reflections	40218	3754
<I/σ(I)>	12.76
Completeness [%]	97.2	90.55
Redundancy	3.3	3.3
CC(1/2)	0.989	0.773

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	The crystal of PatA was obtained by mixing 0.25ul of the protein (5 mg ml-1) in 5 mM D-(+)-mannose and 20 mM Tris-HCl buffer pH 7.5 with 0.25ul of a mother liquor containing, 100 mM Tris-HCl pH 7.0, 225 mM MgCl2 and 16% (w/v) PEG 8,000.