9HMC

Crystal structure of PDE6D in complex with compound 5e

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	2023-09-04
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	56.740, 75.650, 82.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.720 - 1.650
R-factor	0.1897
Rwork	0.188
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.914
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.720	46.720	1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge	0.083	0.023	2.190
Rmeas	0.087	0.024	2.276
Number of reflections	43331	560	3169
<I/σ(I)>	19.66
Completeness [%]	100.0
Redundancy	7
CC(1/2)	1.000	1.000	0.367

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	4 M Na-formate