9F5T

Ubiquitin C-terminal clippase BpJOS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	89.610, 35.510, 117.640
Unit cell angles	90.00, 102.20, 90.00

Refinement procedure

Resolution	57.490 - 2.560
R-factor	0.214
Rwork	0.210
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.555
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.000	114.980	2.620
High resolution limit [Å]	2.560	11.440	2.560
Rmerge	0.072	0.025	0.777
Rmeas	0.089	0.031	1.046
Number of reflections	22657	296	861
<I/σ(I)>	10.45
Completeness [%]	94.0
Redundancy	2.81
CC(1/2)	0.997	0.998	0.508

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	293	0.1 M CHES pH 9.5; 22 % PEG 8000; 1:2 protein reservoir drop ration; cryoprotected with reservoir + 20% Glycerol