2NX2

Crystal structure of protein ypsA from Bacillus subtilis, Pfam DUF1273

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X3A
Synchrotron site	NSLS
Beamline	X3A
Temperature [K]	100
Detector technology	CCD
Detector	MAR CCD 165 mm
Wavelength(s)	0.9793
Spacegroup name	P 41 21 2
Unit cell lengths	51.052, 51.052, 138.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.890 - 2.000
R-factor	0.182
Rwork	0.180
R-free	0.22400
Structure solution method	SIRAS
RMSD bond length	0.013
RMSD bond angle	1.308
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.090	0.441
Number of reflections	13121
<I/σ(I)>	26.5	2.95
Completeness [%]	99.9	100
Redundancy	12.6	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	18 % PEG-4K, Na-Acetate pH 4.6, Ammonium Acetate 0.1M, 0.1M, Ethylene Glycol 10%, Vapor diffusion, Sitting drop, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	18 % PEG-4K, Na-Acetate pH 4.6, Ammonium Acetate 0.1M, 0.1M, Ethylene Glycol 10%, Vapor diffusion, Sitting drop, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	18 % PEG-4K, Na-Acetate pH 4.6, Ammonium Acetate 0.1M, 0.1M, Ethylene Glycol 10%, Vapor diffusion, Sitting drop, temperature 298K