6QGQ

Crystal structure of APT1 C2S mutant bound to palmitic acid.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-27
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	146.138, 160.738, 40.679
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.619 - 2.601
R-factor	0.1932
Rwork	0.191
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fj2
RMSD bond length	0.003
RMSD bond angle	0.541
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.710	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.180
Number of reflections	30525
<I/σ(I)>	9.6
Completeness [%]	99.9
Redundancy	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	25% of of polyethylene glycol (PEG) 2000 MME, 0.3 M sodium acetate, 0.1 M sodium cacodylate pH 6.5;