1JJE

IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A BIARYL SUCCINIC ACID INHIBITOR (11)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	1999-06-22
Detector	MARRESEARCH
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	71.440, 43.240, 64.230
Unit cell angles	90.00, 100.93, 90.00

Refinement procedure

Resolution	10.000 - 1.800
R-factor	0.201
Rwork	0.201
R-free	0.29100
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	ANOTHER INHIBITED COMPLEX IN THE SAME SPACE GROUP
RMSD bond length	0.006
RMSD bond angle	0.023
Data reduction software	X-GEN
Data scaling software	X-GEN
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	9999.000 *	1.910
High resolution limit [Å]	1.800	1.800
Rmerge	0.075	0.500
Number of reflections	35791	5910 *
<I/σ(I)>	13.005	1.336
Completeness [%]	99.7	100
Redundancy	3.59	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2 *	37 *	PEG MONOMETHYL ETHER 550, ZINC ACETATE, MES PH 6.7-7.1, 310 K, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 310K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris	10 (mM)
3	1	drop	dithiothreitol	2 (mM)
4	1	drop	beta-octylglucoside	0.1 (%)
5	1	reservoir	PEG550	25-32 (%)
6	1	reservoir	zinc acetate	2 (mM)
7	1	reservoir	MES	100 (mM)