1DXJ

Structure of the chitinase from jack bean

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	297
Detector technology	IMAGE PLATE
Detector	ENRAF NONIUS FR591
Spacegroup name	P 61
Unit cell lengths	67.690, 67.690, 110.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	12.300 - 1.800
R-factor	0.182
Rwork	0.182
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cns
RMSD bond length	0.009
RMSD bond angle	22.410 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.300	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.059 *	0.268 *
Number of reflections	24446
<I/σ(I)>	9.8	2.8
Completeness [%]	92.2	84.6
Redundancy	2.9	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5		PROTEIN CONCENTRATION: 15 MG/ML PROTEIN BUFFER: 0.1 M TRIS, PH 9.5, PRECIPITANT: 1.6 M AMMONIUM SULFATE MIXING EQUAL VOLUMES IN SITTING DROPS, AT ROOM TEMPERATURE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	Tris	0.1 (M)	pH9.5
3	1	reservoir	ammonium sulfate	1.6 (M)