1YUD

X-ray Crystal Structure of Protein SO0799 from Shewanella oneidensis. Northeast Structural Genomics Consortium Target SoR12.

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-21
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97624, 0.97895, 0.97020
Spacegroup name	P 1 21 1
Unit cell lengths	98.441, 94.100, 117.100
Unit cell angles	90.00, 111.80, 90.00

Refinement procedure

Resolution	29.930 - 2.700
R-factor	0.237
Rwork	0.237
R-free	0.29200
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.072	0.775
Number of reflections	105384
<I/σ(I)>	22	1.5
Redundancy	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100 mM Hepes, 22% PEG3350, 200 mM ammonium sulphate, 5 mM DTT, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K