8BBI

Crystal structure of Xyn11 double mutant L271S, K275H from Psedothermotoga 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	2021-03-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979185
Spacegroup name	P 21 21 21
Unit cell lengths	90.324, 95.549, 101.344
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.810 - 2.100
R-factor	0.1627
Rwork	0.161
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7nl2
RMSD bond length	0.009
RMSD bond angle	1.469
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP (11.5.02)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.770	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.064	0.593
Rpim	0.031	0.290
Number of reflections	51806	4197
<I/σ(I)>	15.8	2.6
Completeness [%]	99.9	99.9
Redundancy	5	5.1
CC(1/2)	0.999	0.781

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	20% PEG 3350, 0.1M Bis-Tris pH 8.5, 0.2M Na formate