6NWR

Thioester acyl-intermediate of Apolipoprotein N-acyltransferase (Lnt)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	72.164, 136.989, 220.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.469 - 3.500
R-factor	0.26
Rwork	0.259
R-free	0.27490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5n6l
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.470	48.470	3.710
High resolution limit [Å]	3.500	10.500	3.500
Rmerge	0.277	0.090	2.358
Number of reflections	28448	1169	4508
<I/σ(I)>	5.1
Completeness [%]	99.9	99	100
Redundancy	7.4	6.7	7.2
CC(1/2)	0.996	0.997	0.433

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	292	25 % PEG 2000MME, 100 mM Na cacodylate, 40 mM MgCl2