4QNI

Crystal structure of an auxiliary nutrient binding protein (BT3507) from Bacteroides thetaiotaomicron VPI-5482 at 2.30 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-26
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97932,0.95369,0.97903
Spacegroup name	I 4 2 2
Unit cell lengths	96.922, 96.922, 158.067
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.576 - 2.300
R-factor	0.1848
Rwork	0.182
R-free	0.22950
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.150
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.576	28.576	2.380
High resolution limit [Å]	2.300	4.930	2.300
Rmerge	0.057	0.019	0.875
Number of reflections	17102	3253	3010
<I/σ(I)>	18.71	59.5	1.6
Completeness [%]	99.4	99.2	96.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	1.40M tri-Sodium Citrate, 0.1M sodium HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K