5ZH9

Crystal Structures of Mutant Endo-beta-1,4-xylanase II (Y88F)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	CCD
Collection date	2017-12-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	48.331, 59.327, 70.056
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.782 - 1.150
R-factor	0.1376
Rwork	0.137
R-free	0.14830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dfc
RMSD bond length	0.009
RMSD bond angle	1.113
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.782	1.191
High resolution limit [Å]	1.150	1.150
Rmerge	0.032	0.111
Number of reflections	70926	6199
<I/σ(I)>	19.45	6.35
Completeness [%]	98.2	87.23
Redundancy	5.7	5.8
CC(1/2)	0.994	0.951

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6	291	20% PEG 8000, 0.2M NaI, 0.1M MES