3ZNB

METALLO-BETA-LACTAMASE (ZN, HG-BOUND FORM)

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	130
Detector technology	AREA DETECTOR
Collection date	1995-03-22
Detector	SIEMENS
Spacegroup name	P 43 21 2
Unit cell lengths	78.200, 78.200, 140.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.700
R-factor	0.2
Rwork	0.200
R-free	0.26800
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1ZNB WITHOUT METALS OR SOLVENT
RMSD bond length	0.020
RMSD bond angle	1.800 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.000	2.870
High resolution limit [Å]	2.700	2.700
Rmerge	0.045 *
Number of reflections	11371
<I/σ(I)>	23	6.4
Completeness [%]	90.0	47
Redundancy	3.6

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)