8XBD

GH18 family chitinase from cold seep metagenome

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-08-21
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54184
Spacegroup name	I 1 2 1
Unit cell lengths	69.278, 114.286, 110.478
Unit cell angles	90.00, 93.20, 90.00

Refinement procedure

Resolution	19.090 - 2.400
R-factor	0.2023
Rwork	0.200
R-free	0.25620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.947
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.090	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.130	0.530
Rmeas	0.144	0.648
Rpim	0.059	0.366
Total number of observations	181837	10362
Number of reflections	33470	3509
<I/σ(I)>	9.3	2
Completeness [%]	99.6
Redundancy	5.4	3
CC(1/2)	0.992	0.718

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.15 M potassium bromide, 30% (w/v) polyethylene glycol monomethyl ether 2,000