4XQW

X-ray structure analysis of xylanase-N44E with MES at pH6.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-04-12
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	47.990, 59.627, 69.552
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.930 - 1.500
R-factor	0.1744
Rwork	0.174
R-free	0.17860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dfb
RMSD bond length	0.006
RMSD bond angle	1.191
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.530
High resolution limit [Å]	1.500	1.500
Rmerge		0.427
Number of reflections	31754
<I/σ(I)>	17	3.1
Completeness [%]	96.5	92.7
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	16% PEG8000, 0.2 M NaI, 0.1 M MES-NaOH at pH 6.0