2JEP

Native family 5 xyloglucanase from Paenibacillus pabuli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	84.416, 89.574, 90.397
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.250 - 1.400
R-factor	0.116
Rwork	0.115
R-free	0.14400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ecg
RMSD bond length	0.011
RMSD bond angle	1.419
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.3.0011)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.040	0.110
Number of reflections	134851
<I/σ(I)>	42.2	9.1
Completeness [%]	99.7	98.6
Redundancy	4.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		20-25% PEG 8000, 0.2 M CACL2, 0.1 M TRIS, PH 8.5