4LQX

Crystal structure of a TENA/THI-4 domain-containing protein (SSO2700) from Sulfolobus solfataricus P2 at 2.34 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	PIXEL
Collection date	2013-05-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97871, 0.91837
Spacegroup name	P 21 21 21
Unit cell lengths	69.400, 96.579, 116.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.628 - 2.340
R-factor	0.1741
Rwork	0.172
R-free	0.21630
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.020
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.628		2.420
High resolution limit [Å]	2.340	5.020	2.340
Rmerge	0.109	0.039	0.767
Number of reflections	33079	3568	3149
<I/σ(I)>	9.86	25	1.7
Completeness [%]	97.6	97.5	98.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.51	277	0.1M MES pH 5.51, 1.1M ammonium sulfate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K