9XOE

Crystal structure of WTAP 1-50

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	P 41 21 2
Unit cell lengths	76.173, 76.173, 75.414
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.830 - 1.650
R-factor	0.2301
Rwork	0.229
R-free	0.25590
Structure solution method	AB INITIO PHASING
RMSD bond length	0.009
RMSD bond angle	1.091
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	Arcimboldo
Refinement software	PHENIX ((1.13-2988))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	10.000	1.680
High resolution limit [Å]	1.650	4.480	1.650
Rmerge	0.068	0.053	1.017
Rmeas	0.069	0.055	0.990
Rpim	0.014	0.011	0.205
Number of reflections	27412	1528	1329
<I/σ(I)>	6.7
Completeness [%]	100.0	99.9	100
Redundancy	20	15	15
CC(1/2)	0.996	0.999	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.1M HEPES pH7.5, 40% v/v Polyethylene glycol 400