4JXN

CRYSTAL STRUCTURE OF POLYPRENYL SYNTHASE ISP_B (TARGET EFI-509198) FROM Roseobacter denitrificans

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	2013-02-21
Detector	ADSC QUANTUM 315
Spacegroup name	C 2 2 21
Unit cell lengths	48.490, 115.172, 136.221
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.680 - 2.300
R-factor	0.22
Rwork	0.218
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gp1
RMSD bond length	0.007
RMSD bond angle	1.029
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.111
Number of reflections	17070
<I/σ(I)>	7.3	1.5
Completeness [%]	98.0	100
Redundancy	9	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6		0.2M CALCIUM CHLORIDE, 0.1M SODIUM ACETATE, PH 4.6, 30% PEG400, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K