1JT2

STRUCTURAL BASIS FOR THE SUBSTRATE SPECIFICITY OF THE FERUL DOMAIN OF THE CELLULOSOMAL XYLANASE Z FROM C. THERMOCELLUM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2001-05-18
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 61 2 2
Unit cell lengths	64.539, 64.539, 222.818
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.930 - 1.800
Rwork	0.187
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jjf
RMSD bond length	0.006
RMSD bond angle	1.200
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.074	0.297
Number of reflections	24752
<I/σ(I)>	13.2	2.7
Completeness [%]	95.8	87.2
Redundancy	4	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	PEGMME2000, AMMONIUM SULFATE, SODIUM ACETATE, GLYCEROL, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K