7Q6X

OleP mutant S240Y 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	2020-05-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	248.624, 110.355, 160.046
Unit cell angles	90.00, 129.63, 90.00

Refinement procedure

Resolution	51.340 - 2.700
R-factor	0.20721
Rwork	0.204
R-free	0.26804
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mns
RMSD bond length	0.007
RMSD bond angle	1.524
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]	51.340	2.650
High resolution limit [Å]	2.500	2.500
Number of reflections	225386	36239
<I/σ(I)>	5.59
Completeness [%]	99.2	99.1
Redundancy	4
CC(1/2)	0.992	0.100

Crystallization Conditions

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