3LEZ

Crystal structure of a halotolerant bacterial beta-lactamase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-24
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97946
Spacegroup name	P 31 2 1
Unit cell lengths	55.980, 55.980, 165.890
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.855 - 1.250
R-factor	0.155
Rwork	0.154
R-free	0.17400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.172
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.900
High resolution limit [Å]	1.250	1.250
Rmerge	0.055	0.608
Number of reflections	84295
<I/σ(I)>	13.6	2.1
Completeness [%]	99.9
Redundancy	4.5	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	288	0.2 M CaCl2, 0.1 M hepes, 28% PEG400, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K