4ZQ8

Crystal structure of a terpene synthase from Streptomyces lydicus, target EFI-540129

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-18
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	64.737, 153.781, 155.179
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.843 - 2.000
R-factor	0.1963
Rwork	0.193
R-free	0.25380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4la6
RMSD bond length	0.007
RMSD bond angle	0.998
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.103	0.040	0.487
Rmeas	0.123	0.048	0.580
Rpim	0.065	0.025	0.307
Total number of observations	151695
Number of reflections	50304
<I/σ(I)>	6
Completeness [%]	93.8	91.5	93.4
Redundancy	3	3.1	3.1
CC(1/2)		0.996	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	298	Protein (43 mg/ml, 10 mM Hepes pH 7.5); Reservoir (0.1 M Bicine pH 9.0, 20% PEG 6000); cryo (20% glycerol)