1LL9

Crystal Structure Of AmpC beta-Lactamase From E. Coli In Complex With Amoxicillin

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	2001-11-05
Detector	MARRESEARCH
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	118.330, 76.849, 97.993
Unit cell angles	90.00, 116.50, 90.00

Refinement procedure

Resolution	20.000 - 1.870
Rwork	0.199
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1KE4 with solvent atoms removed
RMSD bond length	0.006
RMSD bond angle	1.340 *
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	1.910
High resolution limit [Å]	1.870	1.870
Rmerge	0.056	0.373
Total number of observations	225850 *
Number of reflections	63012
<I/σ(I)>	30.7	3.92
Completeness [%]	97.0	97

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.7	23 *	Trehan, I., (2001) Biochemistry, 40, 7992. *

Crystallization Reagents in Literatures

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