9RP7

Crystal structure of covalent PDE6delta adduct modified by Deltafluorine (22a)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-09
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.918814844898875
Spacegroup name	P 32 2 1
Unit cell lengths	55.520, 55.520, 114.960
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.320 - 1.900
R-factor	0.2079
Rwork	0.207
R-free	0.22240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.146
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.320	38.320	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.130	0.052	2.584
Rmeas	0.134	0.054	2.653
Number of reflections	16810	231	1222
<I/σ(I)>	13.73
Completeness [%]	100.0
Redundancy	19.9
CC(1/2)	0.999	0.999	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	20% (w/v) PEG3350 and 0.2 M potassium formate