1GCE

STRUCTURE OF THE BETA-LACTAMASE OF ENTEROBACTER CLOACAE GC1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	1997-08-01
Detector	ADSC
Spacegroup name	P 21 21 2
Unit cell lengths	77.975, 69.514, 63.142
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.800
Rwork	0.202
R-free	0.23000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2BLT
RMSD bond length	0.007
RMSD bond angle	1.249 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.076	0.142
Total number of observations	122470 *
Number of reflections	31187	2568 *
<I/σ(I)>	11.1	5
Completeness [%]	96.0 *	80
Redundancy	3.9	1.79

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5	298	VAPOR DIFFUSION, WITH 6.7 OR 8.0 MG/ML PROTEIN IN 5-7.5% PEG8000, 20-25MM POTASSIUM PHOSPHATE (MONOBASIC), OVER 12.5 OR 15% PEG8000, 50MM POTASSIUM PHOSPHATE (MONOBASIC) RESERVOIR AT ROOM TEMPERATURE., temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13.4 (mg/ml)
2	1	reservoir	PEG8000	12.5-15 (%)
3	1	reservoir		0.05-0.1 (M)