3MF0

Crystal structure of PDE5A GAF domain (89-518)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	1.08
Spacegroup name	P 31 2 1
Unit cell lengths	144.534, 144.534, 135.008
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 3.100
R-factor	0.23505
Rwork	0.232
R-free	0.28865
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.319
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.200
High resolution limit [Å]	3.100	3.100
Rmerge	0.128
Number of reflections	29794
<I/σ(I)>	9.5	2.3
Completeness [%]	100.0	100
Redundancy	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	The unliganded PDE5A1C149S (20 mg/mL) was crystallized by vapor diffusion against the well buffer of 10% PEG3350, 5% MPD, 0.1 M sodium citrate, pH5.6, 20 mM DTT. , VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	The unliganded PDE5A1C149S (20 mg/mL) was crystallized by vapor diffusion against the well buffer of 10% PEG3350, 5% MPD, 0.1 M sodium citrate, pH5.6, 20 mM DTT. , VAPOR DIFFUSION, HANGING DROP, temperature 298K