7D89

Crystal structure of an inactivated double mutant (E182AE280A) of a novel thermostable GH10 xylanase XynA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-07-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 41 2 2
Unit cell lengths	110.193, 110.193, 84.983
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.280 - 2.894
R-factor	0.234647402838
Rwork	0.232
R-free	0.27908
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1v0l
RMSD bond length	0.009
RMSD bond angle	1.062
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.280	2.997
High resolution limit [Å]	2.890	2.894
Rmerge	0.108	0.108
Rmeas	0.108	0.108
Rpim	0.021	0.021
Number of reflections	12123	12123
<I/σ(I)>	34
Completeness [%]	99.6
Redundancy	25.5
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	298	24% PEG 600, 0.1M CaCl2, 0.1M MES pH 6.0