9DHO

Structure of proteinase K from energy-filtered MicroED data

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ELECTRON MICROSCOPE
Source details	TFS KRIOS
Temperature [K]	77
Detector technology	ELECTRON DETECTOR
Detector	TFS FALCON 4i
Wavelength(s)	0.0197
Spacegroup name	P 43 21 2
Unit cell lengths	66.920, 66.920, 107.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.820 - 1.090
Rwork	0.150
R-free	0.18310
RMSD bond length	0.012
RMSD bond angle	1.798
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall
Low resolution limit [Å]	56.820
High resolution limit [Å]	1.090
Rmerge	0.284
Number of reflections	98530
<I/σ(I)>	7.8
Completeness [%]	97.5
Redundancy	28.5
CC(1/2)	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	277	dissolving 40 mg/ml proteinase K in 20 mM MES-NaOH pH 6.5. The protein solution was mixed at a 1:1 ratio with a precipitant solution of 0.5 M NaNO3, 0.1 M CaCl2, 0.1 M MES-NaOH pH 6.5.