5JRN

Crystal Structure of a Xylanase in Complex with a Monosaccharide at 2.84 Angstroem resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98009
Spacegroup name	P 21 21 2
Unit cell lengths	105.700, 36.100, 48.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.800 - 2.841
R-factor	0.21
Rwork	0.209
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jrm
RMSD bond length	0.002
RMSD bond angle	0.891
Data reduction software	XDS (November 3, 2014)
Data scaling software	Aimless (0.5.25)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.800	2.940
High resolution limit [Å]	2.840	2.840
Rmerge	0.252	0.884
Number of reflections	4766
<I/σ(I)>	12.96	3.73
Completeness [%]	100.0	100
Redundancy	9.1	8.7
CC(1/2)	0.989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.1 M sodium citrate pH 5, varying ammonium sulfate concentrations