6RGS

Crystal Structure of Phenylalanine Ammonia Lyase (PAL) from Petroselinum crispum bound to cinnamate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97625
Spacegroup name	C 2 2 21
Unit cell lengths	119.910, 159.820, 142.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.310 - 2.420
R-factor	0.211769562404
Rwork	0.210
R-free	0.23836
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w27
RMSD bond length	0.004
RMSD bond angle	0.586
Data reduction software	XDS
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.750	2.450
High resolution limit [Å]	2.410	2.410
Rmerge	0.166
Rmeas	0.173
Rpim	0.048	0.529
Number of reflections	53282	2638
<I/σ(I)>	11.6
Completeness [%]	100.0	100
Redundancy	13
CC(1/2)	0.999	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	298	0.2 M Ammonium acetate 20% w/v Polyethylene glycol 3,350