2PV4

CRYSTAL STRUCTURE OF AN UNCHARACTERIZED PROTEIN FROM DUF3069 FAMILY (SAMA_2622) FROM SHEWANELLA AMAZONENSIS SB2B AT 1.95 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	2007-04-01
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162, 0.97936, 0.97922
Spacegroup name	P 21 21 21
Unit cell lengths	35.957, 47.283, 98.695
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.062 - 1.950
R-factor	0.208
Rwork	0.205
R-free	0.25000
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.351
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]	29.062	29.060	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.069	0.035	0.604
Total number of observations		525	3769
Number of reflections	12889
<I/σ(I)>	6.7	18.4	1.3
Completeness [%]	99.9	95.2	100
Redundancy	3.9	3	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	NANODROP, 2.4M (NH4)2SO4, 0.1M Bicine pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K