1T6J

Crystal Structure of Phenylalanine Ammonia Lyase from Rhodosporidium toruloides

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	80
Detector technology	CCD
Collection date	2000-08-29
Detector	BRANDEIS - B4
Wavelength(s)	0.97866,0.97885,0.96350,0.99473
Spacegroup name	P 32 2 1
Unit cell lengths	107.860, 107.860, 204.380
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.100
R-factor	0.251
Rwork	0.243
R-free	0.29850
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.256
Data reduction software	MADNESS
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.089	0.360
Number of reflections	75419
<I/σ(I)>	20.5	1.98
Completeness [%]	90.0	49.4
Redundancy	6.33

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	PEG 3000, citrate, beta-octylglucoside, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K