1BT5

CRYSTAL STRUCTURE OF THE IMIPENEM INHIBITED TEM-1 BETA-LACTAMASE FROM ESCHERICHIA COLI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-10-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	41.420, 62.010, 89.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.000 - 1.800
R-factor	0.173 *
Rwork	0.173
R-free	0.23800
Structure solution method	OTHER
RMSD bond length	0.010
RMSD bond angle	23.400 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000	1.890
High resolution limit [Å]	1.800	1.800
Rmerge	0.059 *	0.116 *
Total number of observations	84646 *
Number of reflections	21770
<I/σ(I)>	20.9	8.7
Completeness [%]	98.3	96.8
Redundancy	3.9	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	other *	7.8		Jelsch, C., (1992) J. Mol. Biol., 223, 377. *