6KST

Crystal structure of the catalytic domain of chitinase ChiL from Chitiniphilus shinanonensis (CsChiL)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	95
Detector technology	CCD
Collection date	2014-12-13
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	69.189, 81.547, 130.012
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.690 - 1.250
R-factor	0.1338
Rwork	0.132
R-free	0.16060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1itx
RMSD bond length	0.006
RMSD bond angle	1.345
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.290
High resolution limit [Å]	1.250	1.250
Rmeas	0.066	0.348
Rpim	0.027	0.208
Number of reflections	197591	16344
<I/σ(I)>	25.3	3.6
Completeness [%]	97.3	81.3
Redundancy	5.9	2.6
CC(1/2)		0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.1 M Tris-HCl, 0.2 M ammonium sulfate, 25% PEG 3350