3LUR

Crystal structure of Putative bacterial transcription regulation protein (NP_372959.1) from Staphylococcus aureus MU50 at 1.81 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-06
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97932,0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	34.179, 62.482, 105.075
Unit cell angles	90.00, 93.33, 90.00

Refinement procedure

Resolution	29.192 - 1.810
R-factor	0.178
Rwork	0.176
R-free	0.21800
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.410
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.192	29.192	1.870
High resolution limit [Å]	1.810	3.890	1.810
Rmerge	0.055	0.023	0.421
Number of reflections	39778	7438	6412
<I/σ(I)>	9.13	25	1.9
Completeness [%]	94.6	93.2	87.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	277	0.2000M NH4F, 20.0000% PEG-3350, No Buffer pH 6.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K