6WUI

Crystal Structure of mutant S. pombe Rai1 (E150S/E199Q/E239Q) in complex with 3'-FADP

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	2018-08-07
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	101.292, 60.428, 72.788
Unit cell angles	90.00, 104.12, 90.00

Refinement procedure

Resolution	51.470 - 1.900
R-factor	0.1744
Rwork	0.172
R-free	0.20950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fqg
RMSD bond length	0.010
RMSD bond angle	1.329
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	51.470	51.470	1.950
High resolution limit [Å]	1.900	8.510	1.900
Rmerge	0.031	0.018	0.645
Rmeas	0.041	0.023	0.868
Total number of observations	132994
Number of reflections	33344	714	4694
<I/σ(I)>	13.17	34.61	1.47
Completeness [%]	97.0	97.8	96.5
Redundancy	2.085	2.137	2.135
CC(1/2)	0.999	0.998	0.545

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10% (w/v) PEG 3350, 0.2M MgCl2