3HC1

Crystal structure of HDOD domain protein with unknown function (NP_953345.1) from GEOBACTER SULFURREDUCENS at 1.90 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97932,0.97911
Spacegroup name	P 1 21 1
Unit cell lengths	47.567, 66.631, 54.412
Unit cell angles	90.00, 111.96, 90.00

Refinement procedure

Resolution	28.375 - 1.900
R-factor	0.182
Rwork	0.180
R-free	0.22600
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.574
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.375	28.380	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.090	0.037	0.761
Total number of observations		1063	6894
Number of reflections	24939
<I/σ(I)>	11.6	34	1.9
Completeness [%]	100.0	97.9	100
Redundancy	3.8	3.6	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.2000M KThioCyanate, 20.0000% PEG-3350, No Buffer pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K