9RXX

Ty1 Prime Retrotransposon Capsid C-Terminal Domain, F323S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99990
Spacegroup name	P 1 21 1
Unit cell lengths	36.232, 52.753, 45.959
Unit cell angles	90.00, 108.54, 90.00

Refinement procedure

Resolution	43.575 - 1.616
Rwork	0.222
R-free	0.26820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.262
Data reduction software	XDS (Feb 5, 2021 BUILT=20210323)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0340)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.580	1.789
High resolution limit [Å]	1.616	1.616
Rmeas	0.087	1.073
Rpim	0.030	0.465
Number of reflections	15110	755
<I/σ(I)>	10.81
Completeness [%]	71.4	13.61
Redundancy	7.8
CC(1/2)	0.997	0.596

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	150 nL protein (70mg/ml (6.33mM) in 20 mM Tris pH 8.5, 150mM NaCl, 1mM TCEP) mixed with 50 nL well solution (0.2M NH4Cl, 20% PEG6K, 0.1M Tris pH8)