3BZN

Crystal Structure of Open form of Menaquinone-Specific Isochorismate Synthase, MenF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	105
Detector technology	IMAGE PLATE
Collection date	2004-01-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	65.280, 70.490, 90.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.206
Rwork	0.202
R-free	0.28400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	2.023
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.620	29.620	2.070
High resolution limit [Å]	1.990	4.290	1.990
Rmerge	0.074	0.032	0.322
Total number of observations		9006	7829
Number of reflections	28882
<I/σ(I)>	9.2	24.8	3.2
Completeness [%]	99.2	97.7	95.7
Redundancy	2.97	2.95	2.82

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop vapor diffusion	6.5	298	well solution: 0.1M Bis-Tris pH 6.5, 20% PEG-MME 5000. protein solution: 50mM Tris pH 7.8, 50 mM magnesium sulfate. Drops were equal volumes well and protein., sitting drop vapor diffusion, temperature 298K