5HWA

Crystal Structure of MH-K1 chitosanase in substrate-bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	40.750, 79.030, 94.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.690 - 1.350
R-factor	0.1383
Rwork	0.137
R-free	0.17000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.612
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.693	31.587	1.420
High resolution limit [Å]	1.350	4.270	1.350
Rmerge		0.040	1.047
Rmeas	0.092	0.043	1.156
Rpim	0.035	0.017	0.481
Total number of observations	452530	15600	51225
Number of reflections	67791
<I/σ(I)>	12.5	36.2	1.7
Completeness [%]	99.5	99.5	97.1
Redundancy	6.7	6.6	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	298	0.1 M sodium cacodylate, 0.2 M zinc acetate, 7-26%(w/v) PEG 8000