5XWF

Crystal structure of chitinase (RmChi1) from Rhizomucor miehei (SP3221/SAD)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	293.15
Detector technology	CCD
Collection date	2012-11-19
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9788
Spacegroup name	P 32 2 1
Unit cell lengths	48.811, 48.811, 247.516
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.272 - 2.581
R-factor	0.1753
Rwork	0.172
R-free	0.20600
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.390
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.272	42.272	2.650
High resolution limit [Å]	2.580	11.550	2.580
Rmerge	0.052	0.032	0.123
Rmeas	0.056	0.034	0.140
Total number of observations	139172
Number of reflections	20596	229	1426
<I/σ(I)>	25.64	48.28	8
Completeness [%]	99.5	98.7	94.5
Redundancy	6.757	7.009	4.222
CC(1/2)	0.999	0.999	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	200 mM MgCl2, 30 % (w/v) PEG4000, 100 mM Tris-Cl pH 8.5