4HKO

Crystal Structures of Mutant Endo-beta-1,4-xylanase II (E177Q) in the apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-10-13
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	48.216, 59.209, 69.718
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.828 - 1.500
R-factor	0.1722
Rwork	0.171
R-free	0.18610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.144
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	1.530
High resolution limit [Å]	1.500	3.690	1.500
Rmerge	0.069	0.055	0.408
Number of reflections	32599
<I/σ(I)>	13.2
Completeness [%]	99.6	99.3	97.5
Redundancy	3.7	3.7	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	298	15-20 % PEG 8,000, 0.2 M NaI, 0.1 M MES, pH6.0 , VAPOR DIFFUSION, temperature 298K