1S6R

908R class c beta-lactamase bound to iodo-acetamido-phenyl boronic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	AREA DETECTOR
Detector	SIEMENS
Wavelength(s)	1.54179
Spacegroup name	P 21 21 2
Unit cell lengths	46.381, 83.763, 95.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.240
R-factor	0.226 *
R-free	0.28100 *
Structure solution method	AB INITIO
RMSD bond length	0.004
RMSD bond angle	0.016
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.240
Rmerge	0.128 *
Total number of observations	48365 *
Number of reflections	11810 *
Completeness [%]	88.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2 *	298	Wouters, J., (2001) Acta Cryst., D57, 162. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	HEPES	10 (mM)	pH8.2
3	1	drop	EDTA	5 (mM)
4	1	drop	dithiothreitol	2 (mM)
5	1	reservoir	bicine	0.1 (M)	pH9.0
6	1	reservoir	PEG6000	30 (%)