3BC2

METALLO BETA-LACTAMASE II FROM BACILLUS CEREUS 569/H/9 AT PH 6.0, MONOCLINIC CRYSTAL FORM

Experimental procedure

Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	153
Detector technology	IMAGE PLATE AREA DETECTOR
Collection date	1996-08
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	53.440, 61.600, 69.830
Unit cell angles	90.00, 93.27, 90.00

Refinement procedure

Resolution	8.000 - 1.700
R-factor	0.227
Rwork	0.227
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	FOR 1BC2
RMSD bond length	0.007
RMSD bond angle	1.394
Data reduction software	DENZO
Data scaling software	CCP4
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.300	1.900
High resolution limit [Å]	1.850	1.850
Number of reflections	30934
<I/σ(I)>	5.14	2.2
Completeness [%]	96.4	94.5
Redundancy	2.4	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		pH 6.0