9K1N

Crystal structure of family 11 xylanase in complex with inhibitor (OsXIP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	I 4 2 2
Unit cell lengths	197.555, 197.555, 136.323
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.915 - 2.205
R-factor	0.2698
Rwork	0.267
R-free	0.31720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.545
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.330
High resolution limit [Å]	2.200	2.200
Number of reflections	67529	20723
<I/σ(I)>	15.35
Completeness [%]	99.8
Redundancy	10.4
CC(1/2)	0.999	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1M BIS-TRIS pH 5.5, 2.0M Ammonium sulfate