4WIW

Crystal structure of C-terminal domain of putative chitinase from Desulfitobacterium hafniense DCB-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97927
Spacegroup name	C 2 2 21
Unit cell lengths	79.933, 346.625, 193.442
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.140 - 2.637
R-factor	0.187
Rwork	0.184
R-free	0.23580
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.658
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: 1.8.3_1479))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.520
High resolution limit [Å]	2.500	8.540	2.500
Rmerge	0.134	0.071
Rmeas	0.138	0.074
Rpim	0.045	0.021	0.447
Total number of observations	1068698
Number of reflections	92149
<I/σ(I)>	5.6
Completeness [%]	99.9	98.5	100
Redundancy	11.6	11.3	10.6
CC(1/2)		0.995	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	0.1 M Calcium Chloride, 20% PEG3350