1SD6

Crystal Structure of Native MecI at 2.65 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-03-12
Detector	RIGAKU RAXIS II
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	63.711, 72.748, 73.595
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.610 - 2.650
R-factor	0.207
Rwork	0.207
R-free	0.25900
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.013
RMSD bond angle	19.600 *
Data reduction software	bioteX
Data scaling software	bioteX
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.480	2.780
High resolution limit [Å]	2.650	2.650
Rmerge	0.066	0.370
Number of reflections	9418
<I/σ(I)>	10.2	1.4
Completeness [%]	91.6	88.4
Redundancy	2.8	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6 *	291	PEG 8000, Sodium Cacodylate, Magnesium acetate , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	potassium phosphate	20 (mM)	pH7.6
2	1	reservoir		200 (mM)