6DRU

Xylosidase from Aspergillus niger

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 32 2 1
Unit cell lengths	146.132, 146.132, 220.081
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.915 - 2.700
R-factor	0.1818
Rwork	0.181
R-free	0.21250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xvg
RMSD bond length	0.002
RMSD bond angle	0.531
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.915	47.915	2.390
High resolution limit [Å]	2.260	6.710	2.260
Rmerge	0.525	0.074
Rmeas	0.541	0.076
Total number of observations	2108169
Number of reflections	124948	5163	17700
<I/σ(I)>	5.71	38.13	0.03
Completeness [%]	97.5	99.6	86.3
Redundancy	16.872	20.279	3.761
CC(1/2)	0.983	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	293.15	5% v/v 2-Propanol, 0.1 M Citric acid pH 3.5, 6% w/v Polyethylene glycol 20,000