6PUP

1.9 A crystal structure of flavodoxin-like domain of Schizosaccharomyces japonicus putative tRNAPhe 4-demethylwyosine synthase Tyw1 in complex with FMN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	62.268, 58.632, 62.520
Unit cell angles	90.00, 118.71, 90.00

Refinement procedure

Resolution	54.830 - 1.890
R-factor	0.1754
Rwork	0.170
R-free	0.21800
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.551
Data reduction software	DIALS
Data scaling software	Aimless (0.5.27)
Phasing software	CRANK2
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.830	2.050	8.980
High resolution limit [Å]	1.890	2.000	1.890
Rmerge	0.115	0.978	0.049
Rmeas	0.126	1.140	0.054
Rpim	0.051	0.571	0.022
Number of reflections	10359	274	162
<I/σ(I)>	10.7
Completeness [%]	77.4	28.5	99.3
Redundancy	6	3.6	6
CC(1/2)	0.996	0.476	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	100 mM Hepes-NaOH pH 7.5, 100 mM MOPS pH 7.5, 9.37% v/v MPD, 9.37% PEG1000, 9.37% w/v PEG 3350, 300 mM MgCl2 x 6 H20; 300 mM CaCl2 x 2 H20