2DH4

Geranylgeranyl pyrophosphate synthase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL12B2
Synchrotron site	SPring-8
Beamline	BL12B2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-04
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0332, 0.9799, 0.9796, 0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	48.747, 116.331, 129.768
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.980
R-factor	0.192
Rwork	0.189
R-free	0.24300
Structure solution method	SAD with data collected on Se-Met crystal at 0.9796 A.
RMSD bond length	0.018
RMSD bond angle	1.660
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.050
High resolution limit [Å]	1.980	1.980
Rmerge	0.053	0.528
Number of reflections	50750
<I/σ(I)>	28	2.5
Completeness [%]	96.2	82.7
Redundancy	5	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	25mM Tris-HCl, 150mM NaCl, 0.1% Triton X-100, 80mM Na-acetate, 145mM ammonium sulphate, 13% PEG 4000, 8% propanediol , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	25mM Tris-HCl, 150mM NaCl, 0.1% Triton X-100, 80mM Na-acetate, 145mM ammonium sulphate, 13% PEG 4000, 8% propanediol , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K