8X66

Crystal structure of triple mutant X11P(P71T+N13F+Q34L) xylanase from a metagenome derived gene from sugarcane bagasse collection site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Cu FINE FOCUS
Temperature [K]	100
Detector technology	CMOS
Collection date	2023-05-31
Detector	BRUKER PHOTON 100
Wavelength(s)	1.54
Spacegroup name	P 31
Unit cell lengths	105.689, 105.689, 70.165
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.640 - 2.300
R-factor	0.195
Rwork	0.192
R-free	0.24280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.463
Data reduction software	PROTEUM PLUS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.640	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.128	0.621
Rmeas	0.139	0.673
Rpim	0.053	0.256
Number of reflections	38842	3819
<I/σ(I)>	11.7	3.4
Completeness [%]	99.7	99.9
Redundancy	6.6	6.6
CC(1/2)	0.996	0.869

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.6	298	0.1 M Sodium citrate buffer pH 5.6 and 35% v/v tert-Butanol