2FHX

Pseudomonas aeruginosa SPM-1 metallo-beta-lactamase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2003-02-26
Detector	CUSTOM-MADE
Wavelength(s)	0.97948
Spacegroup name	H 3
Unit cell lengths	126.936, 126.936, 90.461
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 1.900
Rwork	0.194
R-free	0.24700
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.232
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.05)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.063	0.027	0.599
Number of reflections	42802
Completeness [%]	99.9	98.8	100
Redundancy	5.6	5.6	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	100mM Tris.Cl, 2.0M ammonium sulphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8	293	100mM Tris.Cl, 2.0M ammonium sulphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8	293	100mM Tris.Cl, 2.0M ammonium sulphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K