9IGL

Crystal structure of P. syringae phosphinothricin acetyltransferase PSPTO_3321 in complex with L-phosphinothricin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92
Spacegroup name	C 1 2 1
Unit cell lengths	138.577, 97.596, 117.588
Unit cell angles	90.00, 111.19, 90.00

Refinement procedure

Resolution	77.880 - 2.500
R-factor	0.2073
Rwork	0.205
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.428
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.960	2.580
High resolution limit [Å]	2.500	2.500
Rmerge	0.306
Rmeas	0.321
Rpim	0.096	0.762
Number of reflections	50648	4598
<I/σ(I)>	6.4	1.1
Completeness [%]	99.9	99.8
Redundancy	10.6	10.8
CC(1/2)	0.989	0.492

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	22% (w/v) PEG 4000, 0.2M ammonium sulfate and 0.1M sodium acetate.