5BP8

ent-Copalyl diphosphate synthase from Streptomyces platensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	H 3 2
Unit cell lengths	132.870, 132.870, 190.748
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.500 - 1.800
R-factor	0.1579
Rwork	0.156
R-free	0.18840
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.420
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.077	0.053	0.635
Rmeas	0.082	0.056	0.702
Rpim	0.026	0.018	0.290
Total number of observations	545528
Number of reflections	59533
<I/σ(I)>	9.5		2
Completeness [%]	99.4	99	93.3
Redundancy	9.2	9.4	5.4
CC(1/2)		0.998	0.781

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	1.5 M ammonium sulfate, 0.1 M Bis-Tris propane buffer, 5 mM magnesium chloride