4XUN

Structure of the CBM22-2 xylan-binding domain from Paenibacillus barcinonensis Xyn10C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8729
Spacegroup name	P 32
Unit cell lengths	92.539, 92.539, 48.401
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.450 - 1.750
R-factor	0.15295
Rwork	0.151
R-free	0.18200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dyo
RMSD bond length	0.012
RMSD bond angle	1.451
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.450	1.840
High resolution limit [Å]	1.750	1.750
Rmerge	0.094	0.403
Total number of observations	272776
Number of reflections	46784
<I/σ(I)>	5.8	1.9
Completeness [%]	100.0	100
Redundancy	5.8	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	1.85M Sodium malonate. Ratio protein/precipitant=0.5/1