1O8P

Unbound structure of CsCBM6-3 from Clostridium stercorarium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	98.645, 98.645, 27.704
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 2.050 *
R-factor	0.163
Rwork	0.161
R-free	0.19500 *
Structure solution method	MAD
Starting model (for MR)	1gmm
RMSD bond length	0.016 *
RMSD bond angle	1.528 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.060
High resolution limit [Å]	2.050 *	2.050 *
Rmerge	0.070 *	0.186 *
Number of reflections	8498
<I/σ(I)>	28.3	6.6
Completeness [%]	95.9 *	95.7 *
Redundancy	2.3 *	2.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6		pH 4.60

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)