7C34

Crystal structure of Serratia marcescens Chitinase B complexed with Berberine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL18U
Synchrotron site	NFPSS
Beamline	BL18U
Temperature [K]	100
Detector technology	CCD
Collection date	2016-01-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97778
Spacegroup name	P 21 21 21
Unit cell lengths	56.091, 103.771, 186.507
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.777 - 1.938
R-factor	0.1633
Rwork	0.163
R-free	0.19530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jk9
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.781	2.008
High resolution limit [Å]	1.938	1.938
Number of reflections	81619	3868
<I/σ(I)>	31
Completeness [%]	99.9
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	1.0 M ammonium sulfate, 10% glycerol, 100 mM HEPES, pH 7.0