8CP3

Apo-LarE in complex with AMP-PNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9786
Spacegroup name	H 3 2
Unit cell lengths	144.810, 144.810, 193.640
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.160 - 2.350
R-factor	0.2327
Rwork	0.232
R-free	0.25030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.095
Data reduction software	XDS (Mars, 2021)
Data scaling software	XDS (Mars, 2021)
Phasing software	MOLREP (Mars, 2021)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.180	48.180	2.490
High resolution limit [Å]	2.350	6.990	2.350
Rmeas	0.067	0.028	2.432
Number of reflections	32562	1325	5128
<I/σ(I)>	25.46	98.39	0.95
Completeness [%]	99.7	99.5	98.5
Redundancy	20.7
CC(1/2)	1.000	1.000	0.501

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	1.6 M Ammonium Sulfate, 2 % PEG 400, 0.1 M Hepes pH 7.5, 5 mM AMP-PNP.