3V50

Complex of SHV S130G mutant beta-lactamase complexed to SA2-13

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-05-20
Detector	NOIR-1
Wavelength(s)	0.9790
Spacegroup name	P 21 21 21
Unit cell lengths	49.671, 55.479, 83.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.840 - 1.450
R-factor	0.18131
Rwork	0.180
R-free	0.19713
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.311
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.230	1.500
High resolution limit [Å]	1.450	1.450
Number of reflections	41442
Completeness [%]	99.3	97.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	21-30% PEG6000, 0.1M HEPES pH6.8-8.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K