1J84

STRUCTURE OF FAM17 CARBOHYDRATE BINDING MODULE FROM CLOSTRIDIUM CELLULOVORANS WITH BOUND CELLOTETRAOSE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	2000-01-15
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	P 61 2 2
Unit cell lengths	69.095, 69.095, 143.590
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.220 - 2.020
R-factor	0.225 *
Rwork	0.225
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NATIVE(IN C2)
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.180
High resolution limit [Å]	2.050	2.050
Rmerge	0.088	0.321
Total number of observations	172714 *
Number of reflections	11513
<I/σ(I)>	9.2
Completeness [%]	83.7 *	48.4
Redundancy	15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7	298	AMMONIUM SULFATE, HEPES, PEG400, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.6 (mM)
2	1	reservoir	HEPES	100 (mM)	pH7.0
3	1	reservoir	PEG400	2 (%(w/v))