5XSW

Crystal structure of an archaeal chitinase in the substrate-complex form (P63)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	95
Detector technology	PIXEL
Collection date	2015-01-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	P 63
Unit cell lengths	182.253, 182.253, 110.791
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.525 - 1.950
R-factor	0.168
Rwork	0.167
R-free	0.19620
Structure solution method	SIR
RMSD bond length	0.019
RMSD bond angle	1.538
Phasing software	SOLVE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.950	1.950
Number of reflections	151396
<I/σ(I)>	24.5
Completeness [%]	99.5
Redundancy	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		308	Tris-HCl (pH 8.5), NH4H2PO4