6MS2

Crystal structure of the GH43 BlXynB protein from Bacillus licheniformis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-04
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.459
Spacegroup name	C 1 2 1
Unit cell lengths	152.858, 41.902, 71.805
Unit cell angles	90.00, 91.70, 90.00

Refinement procedure

Resolution	33.313 - 2.494
R-factor	0.2013
Rwork	0.197
R-free	0.24190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yrz
RMSD bond length	0.003
RMSD bond angle	0.756
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.10_2148)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.410	40.410	2.640
High resolution limit [Å]	2.490	7.370	2.490
Rmerge	0.089	0.038	0.554
Rmeas	0.109	0.046	0.715
Number of reflections	15465	657	2209
<I/σ(I)>	9.58	23.79	1.81
Completeness [%]	94.1	96.1	85.3
Redundancy	2.8
CC(1/2)	0.992	0.996	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	36% (v/v) 2-methyl-2,4-pentanediol, 5% (w/v) polyethelyne glycol 8,000 and 0.1 M sodium cacodylate pH 6.0