2NYF

Crystal structure of phenylalanine ammonia-lyase from Nostoc punctiforme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-04-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	74.279, 91.486, 151.098
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 2.500
Rwork	0.247
R-free	0.30500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.340
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.098	0.475
Number of reflections	16902
<I/σ(I)>	12.56	2.8
Completeness [%]	92.9	69.7
Redundancy	4.8	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1 M MOPSO (pH 7.0), 21% (w/v) polyethylene glycol 8000, 0.2 M lithium sulfate, 2 mM dithiothreitol, VAPOR DIFFUSION, HANGING DROP, temperature 277K