6AXO

F96S Epi-isozizaene synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	46.920, 76.670, 108.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.668 - 2.100
R-factor	0.1787
Rwork	0.176
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kb9
RMSD bond length	0.006
RMSD bond angle	0.753
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	62.670
High resolution limit [Å]	2.100
Number of reflections	23391
<I/σ(I)>	6.1
Completeness [%]	98.7
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	1.0 M ammonium citrate tribasic (pH 7.0), 0.1M bis-Tris propane (pH 7.0)