3ZQW

Structure of CBM3b of major scaffoldin subunit ScaA from Acetivibrio cellulolyticus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-23
Detector	MARRESEARCH
Spacegroup name	P 61 2 2
Unit cell lengths	52.506, 52.506, 193.978
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.616 - 1.070
R-factor	0.1219
Rwork	0.121
R-free	0.13520
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.011
RMSD bond angle	1.403
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX (C D E)
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.100
High resolution limit [Å]	1.080	1.080
Rmerge	0.080	0.650
Number of reflections	69264
<I/σ(I)>	24.4	1.8
Completeness [%]	98.9	97.2
Redundancy	17.57	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		1.9 M AMMONIUM SULFATE, 0.1 M HEPES PH 7.5, 0.5% (W/V) POLYETHYLENE GLYCOL 400.
1		7.5		1.9 M AMMONIUM SULFATE, 0.1 M HEPES PH 7.5, 0.5% (W/V) POLYETHYLENE GLYCOL 400.