9PKI

Phenylalanine ammonia-lyase from Joinvillea ascendens in complex with tyrosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-21
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.976
Spacegroup name	P 62 2 2
Unit cell lengths	210.157, 210.157, 110.459
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	70.240 - 2.750
R-factor	0.1998
Rwork	0.198
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DIALS (3.19)
Data scaling software	DIALS (3.19)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18.2_3874: ???)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.400	2.800
High resolution limit [Å]	2.750	2.750
Rmerge	0.148	1.155
Rmeas	0.153	1.185
Rpim	0.034	0.261
Number of reflections	37739	1841
<I/σ(I)>	13	1
Completeness [%]	99.7	98.71
Redundancy	18.9	20.3
CC(1/2)	0.998	0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.7	277	0.042M MOPS, 0.058M Na HEPES, 0.03M Sodium nitrate, 0.03M Sodium phosphate dibasic, 0.03M Ammonium sulfate, 20% ethylene glycol, 10% PEG 8000