2BL1

Crystal structure of a putative phosphinothricin Acetyltransferase (PA4866) from Pseudomonas aeruginosa PAC1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-03-23
Detector	ADSC CCD
Spacegroup name	P 43 21 2
Unit cell lengths	79.990, 79.990, 61.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.000
R-factor	0.1974
Rwork	0.197
R-free	0.22940
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.019
RMSD bond angle	1.410
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.000	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.100	0.280
Number of reflections	13388
<I/σ(I)>	4.6	2.6
Completeness [%]	96.1	96.1
Redundancy	12.8	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3		PROTEIN WAS CRYSTALLISED USING HANGING DROP VAPOUR DIFFUSION. RESERVOIR SOLUTION CONTAINED 1ML OF 0.1M HEPES AT PH7.3, 23-27% PEG 8000 AND 0.1% AZIDE. DROP SIZE WAS 1 MICROLITRE, TO WHICH 1 MICROLITRE OF PROTEIN SOLUTION AT 10 MG/ML WAS ADDED.