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CBM4 structure and function

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2000-10-15
Detector	ADSC CCD
Spacegroup name	P 32 2 1
Unit cell lengths	105.117, 105.117, 49.636
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.173
Rwork	0.172
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gu3
RMSD bond length	0.016
RMSD bond angle	1.593
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BEAST
Refinement software	REFMAC (5.1.07)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.044	0.281
Number of reflections	25221
<I/σ(I)>	34	7.6
Completeness [%]	99.9	100
Redundancy	2.1 *	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6		2.0M AMMONIUM SULFATE 100MM SODIUM ACETATE PH4.6, pH 4.60

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium acetate	0.1 (M)
2	1	reservoir	ammonium sulfate	2.0 (M)