4KK2

Crystal structure of a chimeric FPP/GFPP synthase (TARGET EFI-502313c) from Artemisia spiciformiS (1-72:GI751454468,73-346:GI75233326), apo structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-15
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 61
Unit cell lengths	122.145, 122.145, 114.282
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.739 - 2.200
R-factor	0.1588
Rwork	0.157
R-free	0.19850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fps
RMSD bond length	0.007
RMSD bond angle	0.991
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	AMoRE
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	105.781	37.739	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge	0.117	0.028	0.855
Total number of observations		16860	80642
Number of reflections	49118
<I/σ(I)>	14.1	21.9	0.9
Completeness [%]	99.9	97.5	100
Redundancy	11.4	10.7	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Protein (10 mM Hepes pH 7.5, 150 mM NaCl, 10% glycerol, 1 mM DTT, 5 mM MgCl), Reservoir (0.09 M HEPES pH 7.5, 1.26 M Sodium Citrate, 10% glycerol), Cryoprotection (Reservoir, + 20% glycerol), VAPOR DIFFUSION, SITTING DROP, temperature 298K