1DDK

CRYSTAL STRUCTURE OF IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1997-02-20
Detector	SIEMENS X1000
Spacegroup name	P 1 21 1
Unit cell lengths	50.300, 105.800, 112.300
Unit cell angles	90.00, 93.90, 90.00

Refinement procedure

Resolution	20.000 - 3.100
R-factor	0.255
Rwork	0.255
R-free	0.28800
RMSD bond length	0.013
RMSD bond angle	1.800
Data scaling software	XDS
Phasing software	CCP4
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.100
High resolution limit [Å]	3.000	3.100 *
Rmerge	0.140	0.249
Total number of observations	31781 *
Number of reflections	19288
Completeness [%]	90.1	56.6
Redundancy	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5 *	293	drop contained 5 uL protein (14mg/mL in 20mM HEPES, pH 7.5) with 5 uL reservoir (0.2M sodium acetate, 30% PEG4000, 0.1M sodium citrate pH 5.6). Crystal grew as plates after 2 weeks., pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	14 (mg/ml)
2	1	drop	HEPES	20 (mM)	pH7.5
3	1	reservoir	sodium acetate	0.2 (M)
4	1	reservoir	PEG4000	30 (%)
5	1	reservoir	sodium citrate	0.1 (M)	pH5.6