5XSX

Crystal structure of an archaeal chitinase in the substrate-complex form (P212121)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2014-11-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	75.932, 145.196, 152.733
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.626 - 2.642
R-factor	0.2315
Rwork	0.230
R-free	0.25910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xsw
RMSD bond length	0.002
RMSD bond angle	0.544
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.710
High resolution limit [Å]	2.650	2.650
Number of reflections	50103
<I/σ(I)>	17.4
Completeness [%]	100.0
Redundancy	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Tris-HCl (pH 8.5), NH4H2PO4