6RKH

The crystal structure of AbnE (Selenium derivative), an arabino-oligosaccharide binding protein, in complex with arabinohexaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	39.244, 95.646, 119.969
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.393 - 2.471
R-factor	0.1761
Rwork	0.172
R-free	0.25180
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.296
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.510
High resolution limit [Å]	2.470	2.470
Rmerge	0.090	0.201
Number of reflections	16828	805
<I/σ(I)>	12.5	13.7
Completeness [%]	99.6	98.8
Redundancy	9.2	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	22% PEG 4K, 0.1M Tris/HCl buffer, pH 9