7Q6R

OleP mutant E89Y in complex with 6DEB

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	2019-01-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9788
Spacegroup name	C 1 2 1
Unit cell lengths	248.135, 111.117, 160.543
Unit cell angles	90.00, 129.67, 90.00

Refinement procedure

Resolution	48.070 - 2.440
R-factor	0.18988
Rwork	0.187
R-free	0.24333
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mns
RMSD bond length	0.007
RMSD bond angle	1.555
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.070	2.590
High resolution limit [Å]	2.440	2.440
Rmerge	0.048	0.598
Number of reflections	241832	109337
<I/σ(I)>	13.55	1.81
Completeness [%]	98.2	96.7
Redundancy	3
CC(1/2)	0.990	0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	Sodium Formate, 4.4M