1LL5

X-ray crystal structure of AmpC WT beta-lactamase in complex with covalently bound imipenem

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-31
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	118.457, 76.911, 98.009
Unit cell angles	90.00, 116.16, 90.00

Refinement procedure

Resolution	20.000 - 1.800
Rwork	0.205
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ke4
RMSD bond length	0.015
RMSD bond angle	1.770
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.062	0.179
Total number of observations	230232 *
Number of reflections	64997
<I/σ(I)>	29.1	7.4
Completeness [%]	88.9	96.4
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.7	296	1.7 M potassium phosphate; crystal was then soaked in saturated imipenem for 40 minutes, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	potassium phosphate	1.7 (M)