2A3U

Crystal structure of sulbactam bound to E166A variant of SHV-1 beta-lactamase

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	2004-09-04
Detector	NOIR-1
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	49.510, 55.310, 83.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.680 - 1.340
R-factor	0.175
Rwork	0.175
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.600
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.340
Rmerge	0.058
Number of reflections	52285
<I/σ(I)>	10.4
Completeness [%]	99.7
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1