9G7G

Structure of the clippase PaJOS from Pigmentiphaga aceris

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	131.946, 81.316, 167.392
Unit cell angles	90.00, 90.23, 90.00

Refinement procedure

Resolution	49.030 - 1.890
R-factor	0.2043
Rwork	0.204
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.923
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((dev_5407: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.000	80.000	1.940
High resolution limit [Å]	1.890	8.460	1.890
Rmerge	0.072	0.028	1.742
Rmeas	0.078	0.030	1.982
Number of reflections	271333	3320	15799
<I/σ(I)>	11.63
Completeness [%]	95.9
Redundancy	6.6
CC(1/2)	0.999	1.000	0.373

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.2 M magnesium chloride, 0.1 M TRIS pH 8.5, 30 % w/v PEG4000