7NEK

SusD protein from human gut uncultured Bacteroides

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	2019-09-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	I 41 2 2
Unit cell lengths	179.086, 179.086, 182.229
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	127.730 - 2.650
R-factor	0.18623
Rwork	0.185
R-free	0.21178
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	from Morda server
RMSD bond length	0.007
RMSD bond angle	1.113
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	127.730	2.790
High resolution limit [Å]	2.650	2.650
Rmerge	0.062	0.736
Number of reflections	43113	6221
<I/σ(I)>	8.4
Completeness [%]	100.0
Redundancy	7.1
CC(1/2)	0.990	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		285	1.7M Na3Citrate, 15% Glycerol, 0.1M HEPES pH 7.5