5WQI

Structure of fungal meroterpenoid isomerase Trt14 complexed with hydrolyzed product

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-30
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	99.520, 47.530, 121.210
Unit cell angles	90.00, 108.09, 90.00

Refinement procedure

Resolution	47.300 - 1.899
R-factor	0.2002
Rwork	0.198
R-free	0.23570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wqf
RMSD bond length	0.009
RMSD bond angle	1.191
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	2.010
High resolution limit [Å]	1.900	1.900
Rmerge	0.098	0.533
Number of reflections	85146
<I/σ(I)>	8.92	2.32
Completeness [%]	99.1	96.9
Redundancy	3.74	3.7
CC(1/2)		0.828

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