1KE4

X-ray crystal structure of AmpC beta-lactamase from E. coli

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	2001-01-22
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	118.490, 76.970, 97.670
Unit cell angles	90.00, 115.90, 90.00

Refinement procedure

Resolution	20.000 - 1.720
Rwork	0.190
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bls
RMSD bond length	0.012
RMSD bond angle	1.700
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	1.760
High resolution limit [Å]	1.720	1.720
Rmerge	0.057	0.372
Total number of observations	322742 *
Number of reflections	81989
<I/σ(I)>	23.2	5.1
Completeness [%]	98.2	97.8
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.7	23 *	used microseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	potassium phosphate	1.7 (M)	pH8.7
2	1	drop	protein	0.095 (mM)
3	1	drop	potassium phosphate	1.7 (M)	pH8.7