6MK6

Carbapenemase VCC-1 from Vibrio cholerae N14-02106

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-01
Detector	RAYONIX MX300HE
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	209.930, 46.650, 113.610
Unit cell angles	90.00, 99.28, 90.00

Refinement procedure

Resolution	51.796 - 1.700
R-factor	0.1645
Rwork	0.164
R-free	0.20110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bue
RMSD bond length	0.009
RMSD bond angle	0.974
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13rc2_2986: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.060	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.052	0.303
Number of reflections	119395
<I/σ(I)>	13.8
Completeness [%]	99.5
Redundancy	4.6
CC(1/2)	0.999	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.7 M NaCl, 0.2 M Bis-Tris pH 5.5 and 22% PEG 3350 and 12-18 mg/mL VCC-1