Table 3.

Data and Refinement Statistics

PKG isoform	PKG Iβ CNB-B			PKG II CNB-B
analog	8-Br-cGMP	8-pCPT-cGMP	PET-cGMP	8-Br-cGMP	8-pCPT-cGMP
data collection
wavelength (Å)	0.99993	0.99993	0.97741	0.97741	0.97741
space group	P4 212	P1211	P41212	P212121	P212121
cell dimensions
a, b, c (Å)	47.01, 47.01, 102.6	35.51, 59.24, 67.32	46.29, 46.29, 102.5	41.62, 52.09, 68.64	42.21, 50.21, 65.51
α, β, δ (deg)	90.00, 90.00, 90.00	90.00, 100.2, 90.00	90.00, 90.00, 90.00	90.00, 90.00, 90.00	90.00, 90.00, 90.00
resolution (Å)	51.29–1.49	51.29–1.49	51.25–1.73	52.09–1.47	65.54–1.53
Rsym or Rmergea	0.105(1.721)	0.105(0.429)	0.184(2.248)	0.093(1.788)	0.082(0.521)
I/σI	19.4(3.0)	19.4(2.6)	12.5(1.3)	12.6(0.8)	12.1(3.6)
CC b 1/2	0.999(0.929)	0.999(0.852)	0.999(0.994)	0.999(0.372)	0.999(0.606)
completeness (%)	99.9(100)	99(96)	99.9(99.4)	98.3(83.2)	98.0(81.3)
redundancy	26.3(19.6)	4.2(3.8)	21.4(13.3)	7.9(5.6)	4.0(3.3)
refinement
resolution (Å)	42.74–1.49	34.95–1.49	42.19–1.75	41.49–1.47	39.85–1.5
no. reflections	19698	44528	11850	25594	22476
Rwork/Rfreec	16.93/19.90	16.34/18.91	19.34/22.65	16.47/18.79	17.95/19.84
no. atoms
proteins	1998	3955	1942	1942	2277
ligand/ion	37	175	47	154	100
water	127	280	80	119	180
B-factors
protein	25.47	22.09	33.69	33.69	18.3
ligand/ion	35.42	18.78	32.68	33.45	25.5
water	30.70	35.58	34.68	34.17	28.93
r.m.s.d deviations
bond lengths (Å)	0.009	0.012	0.012	0.009	0.013
bond angles (deg)	1.322	1.253	1.096	1.3	1.489
PDB ID	5JAX	5J48	5JD7	5JIX	5JIZ

^aHighest resolution shell is shown in parentheses.

^bCC_1/2, Pearson correlation coefficient.

^c5.0% of the observed intensities was excluded from refinement for cross validation purposes.

^dr.m.s., root-mean-square.