7YZV

Ryegrass mottle virus serine protease domain S159A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	90
Detector technology	PIXEL
Collection date	2020-03-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	C 1 2 1
Unit cell lengths	112.222, 36.950, 69.498
Unit cell angles	90.00, 126.29, 90.00

Refinement procedure

Resolution	56.020 - 1.600
R-factor	0.224
Rwork	0.222
R-free	0.26270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ff0
RMSD bond length	0.005
RMSD bond angle	0.798
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.020	1.680
High resolution limit [Å]	1.600	1.600
Rmerge	0.148	0.660
Number of reflections	29492	4334
<I/σ(I)>	6.7	2.2
Completeness [%]	95.9	97
Redundancy	5.7	5.8
CC(1/2)	0.986	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.18 M ammonium sulfate, 22% PEG 8000, 0.1 M sodium cacodylate (pH 6.5)