7NL2

Structure of Xyn11 from Pseudothermotoga thermarum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979257
Spacegroup name	P 21 21 21
Unit cell lengths	91.452, 95.268, 100.527
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.500 - 1.800
R-factor	0.1576
Rwork	0.156
R-free	0.18410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ofj
RMSD bond length	0.008
RMSD bond angle	1.435
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP (7.0.066)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.630	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.090	0.684
Rmeas	0.098	0.745
Rpim	0.038	0.293
Number of reflections	81903	4456
<I/σ(I)>	13	2.7
Completeness [%]	99.9	100
Redundancy	6.5	6.4
CC(1/2)	0.998	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	10% PEG 3350, 0.2 M Proline, 0.1 M Hepes pH 7.5. Mother liquor solution was supplemented by 25% of glycerol to cryoprotect the crystal during the data collection.