3TS7

CRYSTAL STRUCTURE OF FARNESYL DIPHOSPHATE SYNTHASE (TARGET EFI-501951) FROM Methylococcus capsulatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-11
Detector	ADSC QUANTUM 315
Spacegroup name	P 42 21 2
Unit cell lengths	114.592, 114.592, 113.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.940
R-factor	0.2206
Rwork	0.219
R-free	0.26577
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p41
RMSD bond length	0.011
RMSD bond angle	1.292
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.940	1.940
Rmerge		0.950
Number of reflections	56269
<I/σ(I)>	7	1.1
Completeness [%]	94.0	96.6
Redundancy	15.3	14.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	294	0.1M TRIS-HCL, 2M AMMONIUM PHOSPHATE MONOBASIC, PH 8.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K