4P62

Directed evolution of a B3 metallo-beta-lactamase AIM-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.89
Spacegroup name	P 61 2 2
Unit cell lengths	76.453, 76.453, 240.270
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	66.210 - 1.890
R-factor	0.17628
Rwork	0.175
R-free	0.19964
RMSD bond length	0.018
RMSD bond angle	1.812
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall
Low resolution limit [Å]	44.490
High resolution limit [Å]	1.890
Number of reflections	34233
<I/σ(I)>	2.25
Completeness [%]	99.8
Redundancy	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277.15	PEG 8000, Zinc acetate, Sodium cacodylate