6IZC

Crystal structure of the chromosome-encoded beta-lactamase of Vibrio parahaemolyticus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97852
Spacegroup name	P 1 21 1
Unit cell lengths	40.467, 97.741, 65.008
Unit cell angles	90.00, 92.36, 90.00

Refinement procedure

Resolution	54.100 - 1.550
R-factor	0.165
Rwork	0.164
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g68
RMSD bond length	0.010
RMSD bond angle	1.020
Data reduction software	XDS
Data scaling software	autoPROC (1.0.4)
Phasing software	MOLREP (11.4.05)
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.749	1.555
High resolution limit [Å]	1.549	1.549
Rmeas	0.078	0.567
Rpim	0.029	0.228
Number of reflections	71621	619
<I/σ(I)>	17.1	3.1
Completeness [%]	97.9	82.6
Redundancy	6.9	6
CC(1/2)	0.999	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	5 mg/ml in 10 mM HEPES pH 7.5, 150 mM NaCl, and 1 mM DTT was mixed with 0.2 M Ammonium sulfate, 0.1 M sodium acetate pH 4.2, and 34% polyethylene glycol monomethyl ether 2000 (w/v) in 1:1 volume ratio.