8HM3

Complex of PPIase-BfUbb

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-20
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	61.860, 100.920, 106.180
Unit cell angles	90.00, 100.46, 90.00

Refinement procedure

Resolution	30.740 - 2.260
R-factor	0.2158
Rwork	0.213
R-free	0.26040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ubq
RMSD bond length	0.007
RMSD bond angle	1.030
Data reduction software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.740	2.340
High resolution limit [Å]	2.260	2.260
Number of reflections	59756	5944
<I/σ(I)>	12.7
Completeness [%]	99.4	99.68
Redundancy	6.6
CC(1/2)	0.993	0.606

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	14% PEG3350, 0.3M magnesium sulfate