5WQF

Structure of fungal meroterpenoid isomerase Trt14

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	100.610, 47.660, 121.440
Unit cell angles	90.00, 108.07, 90.00

Refinement procedure

Resolution	47.824 - 2.001
R-factor	0.2155
Rwork	0.214
R-free	0.24660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Selenomethionine labeled Trt14
RMSD bond length	0.007
RMSD bond angle	0.787
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.000	2.000
Rmerge	0.048
Number of reflections	73543
<I/σ(I)>	14.2	2.57
Completeness [%]	98.4	97.9
Redundancy	3.42	3.4
CC(1/2)		0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100mM Imidazole (pH 8.0), 10% PEG 8000, 100mM Ca(OAc)2, 2% 1-propanol