1KDS

X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 3-nitrophenylboronic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1998-04-24
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	119.108, 77.730, 99.010
Unit cell angles	90.00, 115.86, 90.00

Refinement procedure

Resolution	10.000 * - 2.150
Rwork	0.174
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c3b
RMSD bond length	0.008
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.250
High resolution limit [Å]	2.150	2.150
Rmerge	0.076	0.222
Total number of observations	112903 *
Number of reflections	43507
<I/σ(I)>	9.3	3.3
Completeness [%]	98.0	94.7
Redundancy	2.6

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