4W5Z

High resolution crystal structure of catalytic domain of Chitinase 60 from psychrophilic bacteria Moritella marina.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-11
Detector	RAYONIX MX-225
Wavelength(s)	0.976265
Spacegroup name	C 2 2 21
Unit cell lengths	50.691, 72.686, 171.169
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.585 - 1.320
R-factor	0.1113
Rwork	0.111
R-free	0.15010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mb3
RMSD bond length	0.021
RMSD bond angle	1.817
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1772))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	85.585		1.400
High resolution limit [Å]	1.320	3.940	1.320
Rmerge	0.054	0.023	1.043
Rmeas	0.059	0.025	1.159
Total number of observations	405015
Number of reflections	74674	2975	11551
<I/σ(I)>	17.06	59.01	1.71
Completeness [%]	99.1	99.1	95.8
Redundancy	5.42		5.32

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	292	45% v/v MPD, 0.2M ammonium acetate and 0.1M Bis Tris pH 5.5.