4W5U

Crystal structure of chitinase 40 from thermophilic bacteria Streptomyces thermoviolaceus.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-14
Detector	MARRESEARCH
Wavelength(s)	1.000
Spacegroup name	P 61 2 2
Unit cell lengths	183.150, 183.150, 130.814
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.000 - 2.771
R-factor	0.1515
Rwork	0.150
R-free	0.20840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	The model structure was generated by the GeneSilico Metaserver.
RMSD bond length	0.014
RMSD bond angle	1.478
Data reduction software	XDS (2.5.1)
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1772))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.000		2.940
High resolution limit [Å]	2.770	8.210	2.770
Rmerge	0.149	0.041	1.008
Rmeas	0.157	0.043	1.063
Total number of observations	332669
Number of reflections	33170	1433	5170
<I/σ(I)>	13.53	37.03	1.91
Completeness [%]	99.4	99	98.1
Redundancy	10.03		9.79

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	292	1.9 M sodium malonate