5VQJ

Discovery of a first GH11 exo-1,4-beta-xylanase from a diverse microbial sugar cane bagasse composting community

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	2016-10-21
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.459
Spacegroup name	P 43 21 2
Unit cell lengths	64.326, 64.326, 105.873
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.792 - 1.761
R-factor	0.1953
Rwork	0.194
R-free	0.21830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xnk
RMSD bond length	0.005
RMSD bond angle	1.042
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.490	45.490	1.800
High resolution limit [Å]	1.760	8.980	1.760
Rmerge	0.125	0.044	1.530
Rmeas	0.128	0.045	1.573
Rpim	0.026	0.010	0.360
Total number of observations	543074
Number of reflections	22638
<I/σ(I)>	23.4
Completeness [%]	99.6	99.6	96
Redundancy	24	18.4	18.3
CC(1/2)	0.999	1.000	0.767

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	BIS-TRIS propane, PEG 3350, NaI