5ERM

Crystal structure of cyclization domain of Phomopsis amygdali fusicoccadiene synthase complexed with magnesium ions and pamidronate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-20
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 32 2 1
Unit cell lengths	143.295, 143.295, 118.261
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.904 - 2.303
R-factor	0.1818
Rwork	0.178
R-free	0.20620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.931
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (dev_1839)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.300
Number of reflections	62273
<I/σ(I)>	37.2
Completeness [%]	99.9
Redundancy	19.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	277	1.75 M sodium formate, 0.25 M magnesium formate, 0.1 M sodium acetate (pH4.8)