5ERO

Crystal structure of elongation domain of Phomopsis amygdali fusicoccadiene synthase complexed with cobalt ions and pamidronate

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	2014-03-24
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	C 2 2 21
Unit cell lengths	103.577, 216.122, 129.234
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.849 - 2.550
R-factor	0.2158
Rwork	0.214
R-free	0.25570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q80
RMSD bond length	0.003
RMSD bond angle	0.765
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]	2.550
Number of reflections	47383
<I/σ(I)>	21
Completeness [%]	99.5
Redundancy	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	0.01 M cobalt chloride, 0.1 M sodium acetate (pH 4.6), 1.0 M 1,6-hexanediol