5I3T

Native Structure of the Linalool Dehydratase-Isomerase from Castellaniella defragrans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-07
Detector	RAYONIX MX300-HS
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	102.957, 106.757, 188.872
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.193 - 2.100
R-factor	0.164
Rwork	0.163
R-free	0.20450
RMSD bond length	0.008
RMSD bond angle	1.078
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.193
High resolution limit [Å]	2.090
Number of reflections	234053
<I/σ(I)>	5.68
Completeness [%]	99.7
Redundancy	20

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	8	291	4-7% glycerol, 20-30% PEG 4000, 0.1 M TRIS pH 8.0