1K72

The X-ray Crystal Structure Of Cel9G Complexed With cellotriose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-01-15
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	57.000, 57.600, 86.800
Unit cell angles	93.60, 100.80, 99.50

Refinement procedure

Resolution	40.000 * - 1.800
R-factor	0.166
Rwork	0.166
R-free	0.19800
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1g87
RMSD bond length	0.010
RMSD bond angle	23.600 *
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.820
High resolution limit [Å]	1.800	1.800
Rmerge	0.054 *	0.370 *
Number of reflections	92853
<I/σ(I)>	25.6	3.3
Completeness [%]	94.1	89.1
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.4 *	17 *	Peg 4000, Hepes, MgAcO, Isopropanol, Glycerol, cellotriose, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	25 (%)
2	1	reservoir	Tris-HCl	100 (mM)	pH8.4
3	1	reservoir	magnesium acetate	100 (mM)
4	1	reservoir	isopropanol	5 (%)
5	1	reservoir	glycerol	15 (%)
6	1	drop	protein	6.25 (mg/ml)