6QGO

Crystal structure of APT1 S119A 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	2014-11-15
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00
Spacegroup name	P 64
Unit cell lengths	97.887, 97.887, 100.025
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.940 - 2.599
R-factor	0.1901
Rwork	0.188
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fj2
RMSD bond length	0.003
RMSD bond angle	0.641
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]	48.940	2.740
High resolution limit [Å]	2.590	2.590
Rmerge	0.100	0.700
Number of reflections	16831	2432
<I/σ(I)>	14	2.4
Completeness [%]	99.9	99.4
Redundancy	6.3	6
CC(1/2)	0.990	0.780

Crystallization Conditions

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