5Y2A

Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 2

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	2016-10-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97776
Spacegroup name	P 1 21 1
Unit cell lengths	72.637, 90.654, 74.856
Unit cell angles	90.00, 116.41, 90.00

Refinement procedure

Resolution	50.000 - 1.900
Rwork	0.167
R-free	0.18590
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]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.133	0.077	0.486
Rmeas	0.145	0.083	0.533
Rpim	0.055	0.031	0.216
Number of reflections	68407		6614
<I/σ(I)>	4.8
Completeness [%]	99.9	100	99.9
Redundancy	6.6	6.9	5.8
CC(1/2)		0.995	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.2M ammonium acetate, 0.1M Bis-Tris, 45% 2-methyl-2,4-pentadiol