3DI4

Crystal structure of a duf1989 family protein (spo0365) from silicibacter pomeroyi dss-3 at 1.60 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	2008-05-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97941,0.97904
Spacegroup name	P 1 21 1
Unit cell lengths	51.465, 95.764, 58.689
Unit cell angles	90.00, 109.04, 90.00

Refinement procedure

Resolution	28.410 - 1.600
R-factor	0.142
Rwork	0.141
R-free	0.17500
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.539
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]	28.410	28.410	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.072	0.046	0.444
Total number of observations		1983	12170
Number of reflections	69473
<I/σ(I)>	7	11.9	1.7
Completeness [%]	98.3	97.9	94
Redundancy	2.6	2.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	277	1.7M ammonium sulfate, 2.0% polyethylene glycol 400, 15.0% Glycerol, 0.1M HEPES pH 6.9, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K