4BP0

Crystal structure of the closed form of Pseudomonas aeruginosa SPM-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-12-11
Detector	DECTRIS PILATUS
Spacegroup name	P 21 21 21
Unit cell lengths	45.650, 83.550, 282.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.943 - 2.240
R-factor	0.1533
Rwork	0.152
R-free	0.19810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fhx
RMSD bond length	0.014
RMSD bond angle	1.174
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.910	2.300
High resolution limit [Å]	2.240	2.240
Rmerge	0.080	0.760
Number of reflections	53352
<I/σ(I)>	15.7	3
Completeness [%]	99.9	100
Redundancy	6.4	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5		PROTEIN WAS CRYTALLISED FROM 10% W/V POLYETHYLENE GLYCOL 8000, 0.1M HEPES, PH7.5, VAPOR DIFFUSION SITTING DROP, ROOM TEMPERATURE