5VRH

Apolipoprotein N-acyltransferase C387S active site mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-15
Detector	MARRESEARCH
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	52.671, 72.586, 75.610
Unit cell angles	90.00, 101.73, 90.00

Refinement procedure

Resolution	42.041 - 2.137
R-factor	0.2086
Rwork	0.207
R-free	0.25010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 5VRG
RMSD bond length	0.002
RMSD bond angle	0.648
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_2747)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.041	72.586	2.144
High resolution limit [Å]	2.137	9.912	2.137
Rmeas	0.159	0.070	0.840
Rpim	0.071	0.036	0.385
Number of reflections	30232
<I/σ(I)>	9.7
Completeness [%]	97.4	100	94.5
Redundancy	5	4.8	4.6
CC(1/2)	0.973	0.862	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.7	293	0.1 M MES pH 5.7 - 6.3, 27% PEG 500 DME, 0.1 M sodium chloride, 0.1 M magnesium chloride, and 0.01 M copper(II) chloride dihydrate