5WQG

Structure of fungal meroterpenoid isomerase Trt14 complexed with terretonin D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-30
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	99.440, 47.130, 121.130
Unit cell angles	90.00, 107.97, 90.00

Refinement procedure

Resolution	36.478 - 2.300
R-factor	0.1981
Rwork	0.196
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wqf
RMSD bond length	0.008
RMSD bond angle	0.991
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	2.440
High resolution limit [Å]	2.300	2.300
Rmerge	0.070
Number of reflections	47601	7487
<I/σ(I)>	12.37
Completeness [%]	98.4	96.7
Redundancy	3.39	3.4
CC(1/2)	0.998	0.826

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