3BZM

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	2007-01-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	72.370, 72.370, 164.010
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.670 - 1.950
R-factor	0.248
Rwork	0.245
R-free	0.30800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.975
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]	19.670	19.670	2.020
High resolution limit [Å]	1.950	4.190	1.950
Rmerge	0.064	0.043	0.474
Total number of observations		32714	14294
Number of reflections	36355
<I/σ(I)>	14.7	42.8	2.6
Completeness [%]	98.1	99.6	84.8
Redundancy	7.97	8.03	4.61

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop vapor diffusion	8	298	well solution: 0.2M sodium citrate, 6% glycerol, 8% PEG 3350, 5mM chorismic acid. protein solution: 50mM Tris, 5 mM magnesium chloride, 1 mM DTT, pH 7.6, 20 mg/mL. Drops were equal volumes well and protein., sitting drop vapor diffusion, temperature 298K