5ZIW

Crystal Structures of Mutant Endo-beta-1,4-xylanase(Y77F)

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	2018-01-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	48.424, 59.378, 70.046
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.294 - 1.300
R-factor	0.1441
Rwork	0.143
R-free	0.16170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dfc
RMSD bond length	0.010
RMSD bond angle	1.079
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]	45.294	1.346
High resolution limit [Å]	1.300	1.300
Rmerge	0.029	0.204
Number of reflections	49041	4906
<I/σ(I)>	18.78	4.2
Completeness [%]	97.3	98.73
Redundancy	6.5	6
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5	291	20% PEG 8000, 0.2M NaI, 0.1M PBS