5NX4

Crystal structure of Linalool/Nerolidol synthase from Streptomyces clavuligerus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-30
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92819
Spacegroup name	I 4
Unit cell lengths	140.150, 140.150, 87.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.890 - 2.380
R-factor	0.187
Rwork	0.185
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ps1
RMSD bond length	0.002
RMSD bond angle	0.446
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((dev_2621: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.900	2.420
High resolution limit [Å]	2.380	2.380
Rmerge	0.082	0.766
Rpim	0.043	0.440
Number of reflections	33849	1697
<I/σ(I)>	14.6	1.7
Completeness [%]	99.7	99.7
Redundancy	4.5	3.9
CC(1/2)	0.998	0.576

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	25% w/v PEG3350