3CHV

CRYSTAL STRUCTURE OF a prokaryotic domain of unknown function (DUF849) member (SPOA0042) FROM SILICIBACTER POMEROYI DSS-3 AT 1.45 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	2008-02-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97858, 0.97920
Spacegroup name	C 1 2 1
Unit cell lengths	68.859, 69.601, 52.331
Unit cell angles	90.00, 94.19, 90.00

Refinement procedure

Resolution	29.696 - 1.450
R-factor	0.134
Rwork	0.133
R-free	0.15800
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.762
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.696	29.696	1.490
High resolution limit [Å]	1.450	6.480	1.450
Rmerge	0.072	0.047	0.230
Total number of observations		1551	10040
Number of reflections	43611
<I/σ(I)>	7.6	12.9	3.2
Completeness [%]	99.9	98.1	100
Redundancy	3.1	3.1	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	277	NANODROP, 20.0% PEG 3000, 0.2M Zinc acetate, 0.1M Sodium acetate pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K