4OMH

Crystal structure of the bacterial diterpene cyclase COTB2 variant F149L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	59.480, 98.360, 107.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.278 - 1.640
R-factor	0.1849
Rwork	0.183
R-free	0.21570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.437
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.640
Number of reflections	77073
<I/σ(I)>	15.8
Completeness [%]	97.5
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10	291	15% (v/v) PEG8000, 60 mM 3-(cyclohexylamino)-1-propanesulfonic acid (CAPS), 2% (v/v) 2-methyl-2,4-pentanediol (MPD), pH 10.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K