8HUY

N-acetyl-(R)-beta-phenylalanine acylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	112.969, 112.969, 341.686
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.120 - 2.450
R-factor	0.2314
Rwork	0.230
R-free	0.26510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.954
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.810	2.580
High resolution limit [Å]	2.450	2.450
Rmeas	0.107	0.489
Number of reflections	81705	11160
<I/σ(I)>	18.4
Completeness [%]	99.2
Redundancy	12.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	HEPES-NaOH, ammonium formate,