7BJT

Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-03
Detector	DECTRIS PILATUS3 100K-M
Wavelength(s)	0.97
Spacegroup name	P 65
Unit cell lengths	163.390, 163.390, 166.730
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.700 - 1.420
R-factor	0.1616
Rwork	0.161
R-free	0.17040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ojz
RMSD bond length	0.006
RMSD bond angle	1.231
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.700	1.470
High resolution limit [Å]	1.420	1.420
Rmerge		0.840
Rpim		0.183
Number of reflections	444259	32662
<I/σ(I)>	4.74
Completeness [%]	99.9	99.9
Redundancy	5.66	5
CC(1/2)	0.998	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	protein solution of 11.3 mg.ml-1 concentration. Drops of 2 micro-l volume of this protein solution were mixed with 1 micro-l of crystallization solution that contained 2.1 M DL-Malic acid pH 7.0, and equilibrated against a reservoir containing 500 micro-l.