6BM9

Directed evolutionary changes in MBL super family - VIM-2 Round 10

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	2016-03-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	128.596, 41.672, 156.764
Unit cell angles	90.00, 99.41, 90.00

Refinement procedure

Resolution	37.892 - 2.190
R-factor	0.2234
Rwork	0.221
R-free	0.26720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ko3
RMSD bond length	0.003
RMSD bond angle	0.709
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.140	2.268
High resolution limit [Å]	2.190	2.190
Rmerge	0.094	0.764
Rmeas	0.110	0.907
Rpim	0.057	0.484
Number of reflections	41962	4019
<I/σ(I)>	11.28
Completeness [%]	97.8	95.73
Redundancy	3.6	3.4
CC(1/2)	0.996	0.609

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.1 M HEPES (pH 7.5), 1.2 M Sodium Citrate, 0.5 mM TCEP, 1.25 mM PNPP, 25 mM HEPES, 75 mM NaCl, 100 uM ZnCl2