1VCF

Crystal Structure of IPP isomerase at I422

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-12-11
Detector	MARRESEARCH
Wavelength(s)	0.9794, 0.9799, 0.9709, 0.9822
Spacegroup name	I 4 2 2
Unit cell lengths	144.427, 144.427, 169.821
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.940 - 2.600
R-factor	0.242
Rwork	0.242
R-free	0.26000
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.700
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	25755
<I/σ(I)>	35.8	5.1
Completeness [%]	92.3	69.6
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	Tris-HCl, sodium acetate, cadmium sulfate, glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K