2J8R

Structure of P. aeruginosa acetyltransferase PA4866 solved in complex with L-Methionine sulfoximine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX10.1
Synchrotron site	SRS
Beamline	PX10.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-27
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	47.637, 57.197, 125.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.550
R-factor	0.18
Rwork	0.180
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j8m
RMSD bond length	0.011
RMSD bond angle	1.360
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	1.590
High resolution limit [Å]	1.550	1.550
Rmerge	0.120	0.390
Number of reflections	49827
<I/σ(I)>	16	3.1
Completeness [%]	98.9	90.7
Redundancy	6.7	4.9

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.