6AVY

Crystal structure of Zea mays acyl-protein thioesterase 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	48.880, 89.570, 105.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.907 - 2.240
R-factor	0.1842
Rwork	0.182
R-free	0.22410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fj2
RMSD bond length	0.003
RMSD bond angle	0.687
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.910	2.320
High resolution limit [Å]	2.240	2.240
Rmerge	0.057	0.215
Number of reflections	21370	1636
<I/σ(I)>	14.6	3.92
Completeness [%]	93.0	72
Redundancy	3.1	1.9
CC(1/2)	0.997	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.1 M Bis-Tris pH 5.5, 1% (v/v) PEG 3350, 1 M Ammonium sulfate