3CE8

Crystal structure of a duf3240 family protein (sbal_0098) from shewanella baltica os155 at 2.40 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	2008-02-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97926, 0.97879
Spacegroup name	P 21 3
Unit cell lengths	71.285, 71.285, 71.285
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.099 - 2.400
R-factor	0.198
Rwork	0.196
R-free	0.23600
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.765
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]	29.099	29.099	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.065	0.048	0.619
Total number of observations		329	2681
Number of reflections	4934
<I/σ(I)>	6.3	12	1.2
Completeness [%]	99.9	90.5	100
Redundancy	7.2	5.3	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	NANODROP, 0.727M Ammonium dihydrogen phosphate, 0.114M Ammonium dihydrogen phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 293K