6OFV

F95Q Epi-isozizaene synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	53.250, 47.090, 75.590
Unit cell angles	90.00, 95.13, 90.00

Refinement procedure

Resolution	53.037 - 1.910
R-factor	0.1576
Rwork	0.155
R-free	0.20240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kb9
RMSD bond length	0.016
RMSD bond angle	1.321
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.040	1.950
High resolution limit [Å]	1.910	1.910
Rpim	0.116
Number of reflections	29257	1968
<I/σ(I)>	8.1	2.1
Completeness [%]	100.0	100
Redundancy	3.6	3.6
CC(1/2)	0.987	0.551

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	Precipitant Solution: 0.2 M magnesium acetate tetrahydrate, 0.1 M sodium cacodylate trihydrate (pH 6.5), 20% (w/v) PEG 8000. Microseeding with wild-type EIZS was used.