2J8M

Structure of P. aeruginosa acetyltransferase PA4866

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	2003-05-06
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	47.749, 56.868, 124.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.440
R-factor	0.1994
Rwork	0.199
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bl1
RMSD bond length	0.007
RMSD bond angle	1.360
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.720	1.480
High resolution limit [Å]	1.440	1.440
Rmerge	0.040	0.340
Number of reflections	58095
<I/σ(I)>	11.6	3.5
Completeness [%]	93.8	93.9
Redundancy	2.8	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	HANGING DROP VAPOR DIFFUSION. RESERVOIR SOLUTION CONTAINED 100MM SODIUM CACODYLATE AT PH 6.5 OR 100MM TRIS-HCL AT PH7.5, 18-22% (W/V) PEG 10 000 AND 0.1% (W/V) NAN3. PROTEIN CONCENTRATION OF 10 MG/ML. DROPS KEPT AT 291K.