7KSE

Crystal structure of Prototype Foamy Virus Protease-Reverse Transcriptase CSH mutant (selenomethionine-labeled)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97601
Spacegroup name	C 1 2 1
Unit cell lengths	240.375, 53.352, 74.922
Unit cell angles	90.00, 100.00, 90.00

Refinement procedure

Resolution	50.000 - 3.000
R-factor	0.2909
Rwork	0.278
R-free	0.31310
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.386
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	CRANK2
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.180
High resolution limit [Å]	3.000	3.000
Rmerge	0.331	1.973
Rmeas	0.337	2.007
Rpim	0.061	0.367
Number of reflections	19100	2990
<I/σ(I)>	10.6	2.7
Completeness [%]	99.7	98
Redundancy	30.4	29.7
CC(1/2)	0.996	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	50 mM KCl, 50 mM sodium cacodylate trihydrate pH 6.0, 12% PEG 8000, 1.0 mM spermine, 1.0 mM L-argininamide, 200 mM glycyglycine or glycylglycylglycine, 100 mM CaCl2
1	VAPOR DIFFUSION, SITTING DROP	6	293	50 mM KCl, 50 mM sodium cacodylate trihydrate pH 6.0, 12% PEG 8000, 1.0 mM spermine, 1.0 mM L-argininamide, 200 mM glycyglycine or glycylglycylglycine, 100 mM CaCl2