3NFZ

Crystal structure of murine aminoacylase 3 in complex with N-acetyl-L-tyrosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-14
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 62
Unit cell lengths	93.498, 93.498, 98.037
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.749 - 2.147
R-factor	0.168
Rwork	0.166
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	wild-type AA3 to be deposited shortly.
RMSD bond length	0.008
RMSD bond angle	1.038
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.230
High resolution limit [Å]	2.147	4.630	2.147
Rmerge	0.122	0.085	0.644
Number of reflections	26605
<I/σ(I)>	11
Completeness [%]	100.0	99.9	99.8
Redundancy	6.7	6.7	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	2M Sodium formate, 0.1M Sodium acetate, pH5.0, 2mM N-acetyl-L-tyrosine, VAPOR DIFFUSION, HANGING DROP, temperature 293K