9IBM

OleP mutant F84Q 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	2022-03-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	250.060, 108.340, 162.120
Unit cell angles	90.00, 129.95, 90.00

Refinement procedure

Resolution	61.720 - 2.777
R-factor	0.18503
Rwork	0.183
R-free	0.22834
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.602
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.000	2.825
High resolution limit [Å]	2.777	2.777
Number of reflections	83589	4120
<I/σ(I)>	11.3
Completeness [%]	99.7
Redundancy	5.1
CC(1/2)	0.996	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	4.4 M sodium formate