3DEE

CRYSTAL STRUCTURE OF A PUTATIVE REGULATORY PROTEIN INVOLVED IN TRANSCRIPTION (NGO1945) FROM NEISSERIA GONORRHOEAE FA 1090 AT 2.25 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	2008-05-01
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97929
Spacegroup name	C 1 2 1
Unit cell lengths	106.522, 31.879, 86.369
Unit cell angles	90.00, 115.80, 90.00

Refinement procedure

Resolution	77.850 - 2.100
R-factor	0.225
Rwork	0.223
R-free	0.26700
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.535
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]	77.850	77.850	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge	0.088	0.042	0.475
Total number of observations		1467	6800
Number of reflections	13583
<I/σ(I)>	5.6	12.7	1.5
Completeness [%]	87.2	97.4	97.9
Redundancy	3.1	2.8	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.36	277	0.2M magnesium chloride, 8.2% Ethanol, 0.1M Imidazole pH 8.36, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K