3HT1

1.2A structure of the polyketide cyclase RemF from Streptomyces resistomycificus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.975
Spacegroup name	P 2 2 21
Unit cell lengths	34.471, 47.907, 96.946
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.200
R-factor	0.1291
Rwork	0.129
R-free	0.17000
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	0.036
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.900	1.210
High resolution limit [Å]	1.150	1.150
Rmerge	0.063
Number of reflections	53620
<I/σ(I)>	20.6	5.2
Completeness [%]	92.6	68
Redundancy	7	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	1M tri-sodium citrate, 0.1M sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	1M tri-sodium citrate, 0.1M sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K