9HMD

Crystal structure of PDE6D in complex with DeltaTag (6a)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER X8 PROTEUM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-08
Detector	Bruker PHOTON III
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	56.470, 75.220, 81.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.980 - 2.500
R-factor	0.2418
Rwork	0.240
R-free	0.28290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.599
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]	19.980	19.980	2.570
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.412	0.074	2.046
Rmeas	0.445	0.081	2.210
Number of reflections	12453	135	914
<I/σ(I)>	5.2
Completeness [%]	99.3
Redundancy	7
CC(1/2)	0.966	0.997	0.362

Crystallization Conditions

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