8Y00

Structure of a xylanase Xyl-1 M4 mutant E175A in complex with xylotriose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-25
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.99987
Spacegroup name	P 1 21 1
Unit cell lengths	52.192, 137.834, 52.822
Unit cell angles	90.00, 97.85, 90.00

Refinement procedure

Resolution	24.470 - 1.710
R-factor	0.18455
Rwork	0.182
R-free	0.22895
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.739
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.780
High resolution limit [Å]	1.710	3.700	1.720
Rmerge	0.061	0.045	0.259
Rmeas	0.067	0.050	0.285
Rpim	0.027	0.022	0.116
Number of reflections	76502	7892	7424
<I/σ(I)>	16.2
Completeness [%]	96.6	98.6	93.9
Redundancy	6.4	5.1	5.9
CC(1/2)	0.996	0.997	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		295	0.2 M sodium formate, 0.1 M Bis-Tris propane 6.5, 20% PEG 3350