9G18

Structure of PslG with an iminosugar inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-09
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.90137
Spacegroup name	P 65
Unit cell lengths	97.604, 97.604, 119.852
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	69.172 - 1.500
Rwork	0.131
R-free	0.15960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.827
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	84.530	84.530	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.127	0.028	2.584
Rmeas	0.134	0.029	2.718
Rpim	0.041	0.009	0.843
Number of reflections	103277	666	5108
<I/σ(I)>	14.1	61.1	1.3
Completeness [%]	100.0	100	100
Redundancy	20.4	20.3	20.7
CC(1/2)	0.999	1.000	0.669

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6	277	20 mM MES pH 6.0, 50 mM sodium chloride