5Y29

Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97931
Spacegroup name	P 41 21 2
Unit cell lengths	98.529, 98.529, 93.957
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.800
Rwork	0.180
R-free	0.19850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1guv
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.11_2567)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.095	0.060	0.440
Rmeas	0.097	0.062	0.448
Rpim	0.019	0.013	0.086
Number of reflections	43489		4415
<I/σ(I)>	11.4
Completeness [%]	100.0	99.8	100
Redundancy	26.2	24.1	26.9
CC(1/2)		0.999	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.2M sodium chloride, 0.1M Tris, 25% PEG3350