9FKI

The structure of glycosynthase IXT6 (E241G mutant), the intracellular xylanase of G.proteiniphilus T-6 in complex with xylobiose-F molecule

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-10
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	169.603, 81.376, 79.529
Unit cell angles	90.00, 91.94, 90.00

Refinement procedure

Resolution	40.690 - 2.300
R-factor	0.1633
Rwork	0.161
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.855
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.690	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.100	0.610
Rmeas	0.130	0.720
Rpim	0.060	0.380
Number of reflections	48212	4417
<I/σ(I)>	11.5	2
Completeness [%]	100.0
Redundancy	4.6
CC(1/2)	0.990	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	2M Sodium acetate and 0.1M Sodium cacodylate buffer at pH 6.5.