2AZJ

Crystal structure for the mutant D81C of Sulfolobus solfataricus hexaprenyl pyrophosphate synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL12B2
Synchrotron site	SPring-8
Beamline	BL12B2
Temperature [K]	120
Detector technology	CCD
Collection date	2004-12-21
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0000
Spacegroup name	P 31 2 1
Unit cell lengths	91.926, 91.926, 121.810
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.370 - 2.400
R-factor	0.317
Rwork	0.317
R-free	0.34700
Structure solution method	MIR
RMSD bond length	0.007
RMSD bond angle	1.100
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	23556
<I/σ(I)>	27.4	3.7
Completeness [%]	98.7	98.6
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	PEG 6000, lithium chloride, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K