1A8T

METALLO-BETA-LACTAMASE IN COMPLEX WITH L-159,061

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1997-02-18
Detector	SIEMENS
Spacegroup name	P 21 21 21
Unit cell lengths	71.360, 170.230, 40.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.550
R-factor	0.181
R-free	0.31900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a7t
RMSD bond length	0.018
RMSD bond angle	0.043
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	MERLOT
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.710
High resolution limit [Å]	2.550	2.550
Rmerge	0.077	0.125
Number of reflections	12599	1468 *
<I/σ(I)>	12.1	2.4
Completeness [%]	75.0	53.8
Redundancy	1.93	1.65

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.6		PROTEIN WAS CRYSTALLIZED FROM 28% PEG 4000, 100 MM SODIUM CHLORIDE, 100 MM SODIUM CACODYLATE BUFFER, PH 6.6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium cacodylate	100 (mM)
2	1	reservoir		100 (mM)
3	1	reservoir	sodium acetate	10 (mM)
4	1	reservoir	PEG4000	28 (%(w/v))