1HLK

METALLO-BETA-LACTAMASE FROM BACTEROIDES FRAGILIS IN COMPLEX WITH A TRICYCLIC INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1990-12-10
Detector	SIEMENS
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	41.800, 44.200, 58.500
Unit cell angles	92.80, 95.30, 98.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.141 *
Rwork	0.165
R-free	0.23200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1znb
RMSD bond length	0.020 *
RMSD bond angle	2.000 *
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.660
High resolution limit [Å]	2.500	2.500
Rmerge	0.090	0.230
Number of reflections	10526 *
<I/σ(I)>	9.2	2.5
Completeness [%]	73.7 *	58 *
Redundancy	2	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5 *	294	20mM HEPES, pH 7.5, 32% PEG 1000, 01M MES, 10 uM ZnCl2, pH 6.0, VAPOR DIFFUSION, SITTING DROP at 294K

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	PEG1000	32 (%)
4	1	reservoir	MES	0.1 (M)
5	1	reservoir		0.010 (mM)	pH6.0