3MC3

Crystal structure of DsrE/DsrF-like family protein (NP_342589.1) from SULFOLOBUS SOLFATARICUS at 1.49 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	2008-11-15
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97871,0.97831
Spacegroup name	H 3
Unit cell lengths	64.070, 64.070, 105.680
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.832 - 1.490
R-factor	0.123
Rwork	0.122
R-free	0.14000
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.509
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.832	26.832	1.540
High resolution limit [Å]	1.490	3.210	1.490
Rmerge	0.030	0.017	0.315
Number of reflections	26406	5154	4712
<I/σ(I)>	13.48	34.9	2
Completeness [%]	96.1	97.4	94.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	5.0000% polyethylene glycol 3000, 40.0000% polyethylene glycol 400, 0.1M MES pH 6.0, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K