1NAE

Structure of CsCBM6-3 from Clostridium stercorarium in complex with xylotriose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-07-12
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	29.648, 49.746, 36.082
Unit cell angles	90.00, 93.18, 90.00

Refinement procedure

Resolution	40.000 * - 2.250 *
R-factor	0.13748
Rwork	0.135
R-free	0.20300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gmm
RMSD bond length	0.018 *
RMSD bond angle	1.580 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000 *	2.120
High resolution limit [Å]	2.250 *	2.250 *
Rmerge	0.046 *	0.141 *
Number of reflections	6382
<I/σ(I)>	12.4	5.4
Completeness [%]	94.6 *	72.1 *
Redundancy	8.5 *	5.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	291	26%PEG 4K, 0.1 M sodium acetate, pH 4.6, 0.2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	17 (mg/ml)
2	1	reservoir	PEG4000	26 (%(w/v))
3	1	reservoir	sodium acetate	0.1 (M)	pH4.6
4	1	reservoir	ammonium sulfate	0.2 (M)