5E76

Crystal structure of Bacova_02651 with xylogluco-oligosaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-25
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	I 4 2 2
Unit cell lengths	131.500, 131.500, 188.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.130 - 2.300
R-factor	0.219
Rwork	0.217
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5e75
RMSD bond length	0.014
RMSD bond angle	1.379
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.130	2.380
High resolution limit [Å]	2.300	2.300
Rmerge		0.718
Number of reflections	36775
<I/σ(I)>	24.9	6.71
Completeness [%]	99.6	99.4
Redundancy	29	28.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	298	1.2-1.8 sodium citrate