4ILY

Abundantly secreted chitosanase from Streptomyces sp. SirexAA-E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 1 21 1
Unit cell lengths	39.067, 115.351, 57.339
Unit cell angles	90.00, 107.08, 90.00

Refinement procedure

Resolution	34.542 - 1.835
R-factor	0.1585
Rwork	0.157
R-free	0.19510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.035
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.870
High resolution limit [Å]	1.835	4.990	1.835
Rmerge	0.106	0.059	0.449
Number of reflections	42074
<I/σ(I)>	9.5
Completeness [%]	99.3	99.7	90.8
Redundancy	3.8	4.2	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	Protein Solution (20 mg/ml protein, 0.05 M NaCl, 0.010 M MOPS pH 7.0) mixed in a 1:1 ratio with the Well Solution. Cryoprotected with 15% ethylene glycol, vapor diffusion, hanging drop, temperature 298K