5LA1

The mechanism by which arabinoxylanases can recognise highly decorated xylans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-05-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9772
Spacegroup name	P 21 21 21
Unit cell lengths	67.911, 72.514, 109.537
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.160 - 1.900
R-factor	0.13097
Rwork	0.129
R-free	0.16041
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5AK1
RMSD bond length	0.012
RMSD bond angle	1.621
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0151)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.160	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.028	0.084
Number of reflections	42716
<I/σ(I)>	26.6	8
Completeness [%]	98.6	85
Redundancy	3.6	2.1
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	100 mM Na/K phosphate, 100 mM MES pH 6.5 and 2M NaCl.