Table 2.

Summary of crystallographic data collection and refinement statistics for PP-InsPs and PCP-InsPs

Data Collection	5PP-InsP5	5PCP-InsP5	1,5(PP)2-InsP4	1,5(PCP)2-InsP4
X-ray source	SSRL 12–2	NSLS II - FMX	SSRL 12–2	SSRL 12–2
Wavelength (Å)	0.97946	0.979358	0.97946	0.97946
Space group	P21212	P21212	P21212	P21212
Unit cell dimensions (Å)	a= 169.36, b= 187.00, c= 90.79	a= 169.36, b= 187.00, c= 90.79	a= 168.90, b= 187.09, c= 90.39	a= 168.47, b= 187.23, c= 90.74
Resolution (Å)	50.0–2.6 (2.60–2.76)	50.0–2.8 (2.80–2.97)	50.0–3.0 (3.00–3.18)	50.0–2.7 (2.66–2.82)
Unique reflections	88,724 (14,073)	71,781 (11,401)	58,102 (9,152)	83,087 (13,219)
Multiplicity	6.70 (6.77)	8.37 (8.27)	13.3 (13.0)	13.6 (13.9)
Completeness (%)	99.8 (99.6)	99.9 (99.6)	99.7 (98.7)	99.9 (99.8)
<I/σI>	18.16 (0.98)	14.95 (1.12)	12.71 (0.69)	16.07 (0.89)
Rsym (%)	8.1 (177.2)	12.4 (234.0)	20.4 (362.3)	14.4 (277.0)
CC1/2 (%)	99.9 (61.1)	99.9 (60.5)	99.9 (59.6)	99.9 (53.2)
Wilson B factor (Å2)	78.6	80.5	87.9	77.3
Refinement
Resolution (Å)	49.14–2.60	48.47–2.80	49.16–3.00	49.23–2.66
Number of reflections	84,114 (4,431)	68,199 (3,573)	53,859 (2,775)	78,647 (4,133)
Rwork/Rfree (%)	22.2/24.8	21.5/24.6	21.0/24.5	22.0/24.9
Number of atoms	11,759	11,548	11,777	11,750
Protein	11,500	11,280	11,504	11,514
InsP	200	240	264	220
Water	53	28	9	16
<B-factor> (Å2)	93.7	101.5	113.3	93.6
Protein	92.0	99.7	111.1	91.7
InsP	201.1	192.7	214.5	197.5
Water	64.2	76.4	69.5	60.9
RMS deviation from ideal
Bond lengths (Å)	0.003	0.004	0.004	0.004
Bond angles (°)	0.56	1.23	1.24	1.24
Ramachandran plot (% favored/# outliers)	96.4/0	97.7/0	94.9/0	95.8/0
Molprobity score (%)	100	100	100	100
PDB accession code	7MP0	7MOR	7MP2	7MP1