7Z64

A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-01
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 1 21 1
Unit cell lengths	65.970, 62.420, 102.650
Unit cell angles	90.00, 102.75, 90.00

Refinement procedure

Resolution	100.118 - 1.310
R-factor	0.1489
Rwork	0.148
R-free	0.16570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Native structure (PDB deposit 1292121539)
RMSD bond length	0.008
RMSD bond angle	1.094
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.118	1.332
High resolution limit [Å]	1.310	1.310
Rmerge	0.057	0.541
Rmeas	0.070	0.653
Number of reflections	192384	9230
<I/σ(I)>	10.8	2.1
Completeness [%]	98.6
Redundancy	3.1
CC(1/2)	0.999	0.376

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.15M KBr, 30% w/v PEG-MME 2K