4TX7

Crystal structure of chitinase (GH19) from Vigna unguiculata

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 31 2 1
Unit cell lengths	69.320, 69.320, 114.870
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.205 - 1.550
R-factor	0.1503
Rwork	0.149
R-free	0.17320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cql
RMSD bond length	0.015
RMSD bond angle	1.460
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.210	53.210	1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.077	0.059	0.657
Number of reflections	46943
<I/σ(I)>	11.4		2.4
Completeness [%]	99.7	98	99.3
Redundancy	5.4	4.6	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	2.0M Sodium formate, 100mM Sodium acetate trihydrate pH 4.6