6DJA

ZN-DEPENDENT 5/B/6 METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	90
Detector technology	CCD
Collection date	2016-05-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.282715
Spacegroup name	P 32 2 1
Unit cell lengths	71.087, 71.087, 96.182
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.900 - 2.480
R-factor	0.16741
Rwork	0.163
R-free	0.20861
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bc2
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.900	37.900	2.580
High resolution limit [Å]	2.480	8.930	2.480
Rmerge	0.072	0.033	0.346
Rmeas	0.073	0.034	0.353
Rpim	0.013	0.006	0.070
Total number of observations	329181
Number of reflections	10388	263	1087
<I/σ(I)>	43.3
Completeness [%]	99.4	99.2	95.3
Redundancy	31.7	28	24
CC(1/2)	1.000	1.000	0.978

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	296	8% PEG 8000, 0.1M TRIS