3LM6

Crystal Structure of Stage V sporulation protein AD (spoVAD) from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR525

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-05
Detector	MAR CCD 165 mm
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	48.973, 87.661, 130.933
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.920 - 2.500
R-factor	0.188
Rwork	0.188
R-free	0.24100
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELX (then SOLVE/RESOLVE)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.173	0.464
Number of reflections	37919
<I/σ(I)>	11.1	2.32
Completeness [%]	100.0	100
Redundancy	5.4	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.15	293	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: 0.1M MES (pH 6.15) and 19% PEG1k. , VAPOR DIFFUSION, HANGING DROP, temperature 293K