1I8U

FAMILY 9 CARBOHYDRATE-BINDING MODULE FROM THERMOTOGA MARITIMA XYLANASE 10A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-08-15
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	56.560, 56.560, 122.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.209
Rwork	0.209
R-free	0.23700
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.020
High resolution limit [Å]	1.900	1.900
Rmerge	0.065	0.047
Total number of observations	90745 *
Number of reflections	15478 *
<I/σ(I)>	8.8
Completeness [%]	97.7	63.6
Redundancy	5.8	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5 *	298	NA ACETATE, P8K, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	reservoir	PEG8000	15 (%)
3	1	reservoir	sodium acetate	0.2 (mM)