3HTN

Crystal structure of a putative dna binding protein (bt_1116) from bacteroides thetaiotaomicron vpi-5482 at 1.50 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-18
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97908,0.97840
Spacegroup name	P 32
Unit cell lengths	90.688, 90.688, 53.888
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.680 - 1.500
R-factor	0.145
Rwork	0.143
R-free	0.16700
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.584
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.683	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.048	0.552
Number of reflections	79258
<I/σ(I)>	10.56	1.6
Completeness [%]	97.1	95.2
Redundancy	3.77

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8	277	34.0000% polyethylene glycol 400, 0.2000M lithium sulfate, 0.1M TRIS pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K