2ZNB

METALLO-BETA-LACTAMASE (CADMIUM-BOUND FORM)

Experimental procedure

Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	1996-05-30
Spacegroup name	P 43 21 2
Unit cell lengths	78.086, 78.086, 139.746
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.150
R-factor	0.182
Rwork	0.182
R-free	0.25900
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1ZNB WITHOUT METALS OR SOLVENT
RMSD bond length	0.020
RMSD bond angle	1.700 *
Data reduction software	MADNES
Data scaling software	PROCOR
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.000	2.330
High resolution limit [Å]	2.150	2.150
Rmerge	0.070 *
Number of reflections	26096
Completeness [%]	87.4	74.1
Redundancy	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7		Concha, N.O., (1996) Structure (London), 4, 823. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5-8 (mg/ml)
2	1	drop	HEPES	55 (mM)
3	1	drop		0.01 (mM)
4	1	drop	PEG2000	26-28 (%)
5	1	reservoir	PEG2000	26-28 (%)
6	1	reservoir	HEPES	0.1 (M)