5JH8

Crystal structure of chitinase from Chromobacterium violaceum ATCC 12472

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.5166000
Spacegroup name	P 1 21 1
Unit cell lengths	41.030, 67.034, 57.301
Unit cell angles	90.00, 90.20, 90.00

Refinement procedure

Resolution	16.595 - 1.018
R-factor	0.1309
Rwork	0.131
R-free	0.14790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SAD soluiton from from different wavelength
RMSD bond length	0.007
RMSD bond angle	1.037
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX ((dev_2386))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.040
High resolution limit [Å]	1.018	2.770	1.020
Rmerge	0.056	0.043	0.623
Total number of observations	499029
Number of reflections	156331
<I/σ(I)>	10.8
Completeness [%]	99.3	97.5	99.9
Redundancy	3.2	4.6	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	289	0.2M Sodium thiocyanate, 20% PEG 3350