3HBE

Class IV chitinase structure from Picea abies at 1.55A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9395
Spacegroup name	P 21 21 2
Unit cell lengths	67.194, 65.792, 36.496
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.550
R-factor	0.16419
Rwork	0.163
R-free	0.19382
Structure solution method	REFMAC 5.2.0019 rigidbody refinement
Starting model (for MR)	Structure of Picea abies chitinase (PDB entry 3HBD)
RMSD bond length	0.009
RMSD bond angle	1.045
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	REFMAC (5.2.0019 rigidbody refinement)
Refinement software	REFMAC (5.2.0019 rigidbody refinement)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.630
High resolution limit [Å]	1.550	1.550
Rmerge	0.088	0.219
Number of reflections	23744
<I/σ(I)>	16.7	6.3
Completeness [%]	97.4	92.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	296	20% w/v polyethylene glycol 3000, 0.1M citrate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 296K