2A8E

Three-dimensional structure of Bacillus subtilis Q45498 putative protein at resolution 2.5A. Northeast Structural Genomics Consortium target SR204.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-16
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97922
Spacegroup name	C 2 2 21
Unit cell lengths	102.000, 165.449, 40.952
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.790 - 2.500
R-factor	0.196
Rwork	0.196
R-free	0.24100
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.710
High resolution limit [Å]	2.000	2.520
Rmerge	0.058	0.109
Completeness [%]	77.4	78.9
Redundancy	5.45

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	26% PEG 4000, 0.2M Li(2)So(4), 0.1M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K