1KU9

X-ray Structure of a Methanococcus jannaschii DNA-Binding Protein: Implications for Antibiotic Resistance in Staphylococcus aureus

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-01-19
Detector	BRANDEIS - B1
Wavelength(s)	0.9793, 0.9790, 0.9686
Spacegroup name	P 65
Unit cell lengths	56.939, 56.939, 209.515
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.500 * - 2.800
R-factor	0.245
Rwork	0.241
R-free	0.29300 *
Structure solution method	MAD
RMSD bond length	0.008 *
RMSD bond angle	1.380 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SnB
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.048	0.211 *
Total number of observations	137127 *
Number of reflections	9469 *
<I/σ(I)>	38.3	7.7
Completeness [%]	99.7 *	99.6 *
Redundancy	5.7	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	10% dioxane, 30% PEG 8000, TRIS pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris	0.1 (M)	pH8.0
2	1	reservoir	PEG8000	30 (%)
3	1	reservoir	dioxane	10 (%)