2J8N

Structure of P. aeruginosa acetyltransferase PA4866 solved at room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ELLIOTT GX-18
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2002-11-29
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	47.967, 57.522, 126.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.350
R-factor	0.1888
Rwork	0.189
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j8m
RMSD bond length	0.007
RMSD bond angle	1.400
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]	60.000	2.410
High resolution limit [Å]	2.350	2.350
Rmerge	0.110	0.270
Number of reflections	14726
<I/σ(I)>	15.7	5.8
Completeness [%]	97.2	97.2
Redundancy	4.5	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	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.