8A9W

Crystal structure of PulL C-ter domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.987
Spacegroup name	I 21 3
Unit cell lengths	80.300, 80.300, 80.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.780 - 1.895
R-factor	0.24464
Rwork	0.241
R-free	0.27651
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NMR structure
RMSD bond length	0.007
RMSD bond angle	1.291
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.781	1.927
High resolution limit [Å]	1.895	1.895
Rmerge	0.073	1.814
Rmeas	0.074	1.837
Rpim	0.012	0.291
Number of reflections	7013	356
<I/σ(I)>	30.3	2.8
Completeness [%]	100.0
Redundancy	39.5
CC(1/2)	0.999	0.782

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.5 M LiSO4 and 15%w/v PEG 8K