7Z65

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	2016-07-08
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.966
Spacegroup name	P 21 21 21
Unit cell lengths	55.060, 62.340, 75.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.985 - 1.108
R-factor	0.1772
Rwork	0.176
R-free	0.19160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Inhouse model
RMSD bond length	0.007
RMSD bond angle	0.941
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]	47.985	1.112
High resolution limit [Å]	1.108	1.108
Rmerge	0.080	0.542
Rmeas	0.093	0.607
Number of reflections	102783	1013
<I/σ(I)>	12	2.8
Completeness [%]	99.6	94.4
Redundancy	5	4.9
CC(1/2)	0.999	0.362

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	30% PEG 8000, 100 mM Imidazole pH 8.0, 200 mM NaCl