8ALK

Structure of the Legionella phosphocholine hydrolase Lem3 in complex with its substrate Rab1

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	2021-11-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979124
Spacegroup name	P 61
Unit cell lengths	119.332, 119.332, 79.058
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	103.340 - 2.150
R-factor	0.1837
Rwork	0.181
R-free	0.22750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Lem3_apo 3nkv
RMSD bond length	0.003
RMSD bond angle	0.519
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	103.340	2.210
High resolution limit [Å]	2.150	2.150
Rmerge	0.124	1.060
Number of reflections	34977	2867
<I/σ(I)>	9.7	2.3
Completeness [%]	100.0	100
Redundancy	13.6	12.8
CC(1/2)	0.995	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	MES 0.1M pH 5, PEG6000 5%