9IFD

OleP triple mutant F84Q/S240A/V291G in complex with LCA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	248.041, 106.588, 163.731
Unit cell angles	90.00, 131.27, 90.00

Refinement procedure

Resolution	53.740 - 2.700
R-factor	0.18888
Rwork	0.187
R-free	0.21857
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.894
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	123.067	2.750
High resolution limit [Å]	2.700	2.700
Number of reflections	86958	4465
<I/σ(I)>	11.9
Completeness [%]	85.0
Redundancy	3.7
CC(1/2)	0.998	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	4.4 M sodium formate