4FH4

high-resolution structure of apo wt SHV-1 beta-lactamase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	49.807, 55.186, 83.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.690 - 1.090
R-factor	0.13609
Rwork	0.135
R-free	0.16604
Structure solution method	isomorphous replacement
RMSD bond length	0.015
RMSD bond angle	1.763
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.5.0110)
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall
Low resolution limit [Å]	27.690
High resolution limit [Å]	1.090
Number of reflections	90863
Completeness [%]	99.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	21-30% peg6k, 0.1M hepes, 0.56mM cymal-6, pH 6.8-7.8, VAPOR DIFFUSION, SITTING DROP, temperature 296K