3DJM

CRYSTAL STRUCTURE OF A PROTEIN OF UNKNOWN FUNCTION FROM DUF427 FAMILY (RSPH17029_0682) FROM RHODOBACTER SPHAEROIDES 2.4.1 AT 2.51 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	2008-03-16
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97929,0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	66.403, 93.087, 128.016
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.831 - 2.510
R-factor	0.213
Rwork	0.212
R-free	0.22800
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.492
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.831	29.480	2.580
High resolution limit [Å]	2.510	11.230	2.510
Rmerge	0.073	0.029	0.681
Total number of observations		1106	7168
Number of reflections	27752
<I/σ(I)>	8.3	20.3	1.1
Completeness [%]	99.6	92.6	99.2
Redundancy	3.6	3.2	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20.0% polyethylene glycol 3350, 0.2M sodium formate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K