6IZD

Crystal structure of the chromosome-encoded beta-lactamase mutant R168H/M221I 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	2017-06-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97774
Spacegroup name	P 21 21 21
Unit cell lengths	55.598, 60.425, 101.616
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.430 - 1.600
R-factor	0.189
Rwork	0.188
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g68
RMSD bond length	0.010
RMSD bond angle	1.000
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]	60.423	1.605
High resolution limit [Å]	1.599	1.599
Rmeas	0.068	0.954
Rpim	0.019	0.270
Number of reflections	46039	445
<I/σ(I)>	21.3	2.1
Completeness [%]	100.0	100
Redundancy	13	12.4
CC(1/2)	1.000	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10 mg/ml protein in 10 mM HEPES pH 7.5, 150 mM NaCl, 1 mM DTT was mixed with 2 M Ammonium sulfate, 0.1 M sodium citrate/ Citric acid pH 5.0 in 1:1 volume ratio