Table 3.
Survey of additional peak positions in anomalous difference Fourier maps
| PDB | Species | Inhibitor P/Na | Wavelength | Anomalous map residue range | Anomalous peak height (S/N)b |
ISPc state | Additional ISP anomalous peak height (position) | Comments | |||
|---|---|---|---|---|---|---|---|---|---|---|---|
| bL | bH | cyt c1 | ISP | ||||||||
| Å | Å | ||||||||||
| 1L0N | B. taurus | −/− | 1.0 | 30–5.0 | 15.5 | 18.2 | 10.8 | 5.8 | b′ | Native, no new Fe2S2 anomalous peak | |
| 1NTM | B. taurus | −/− | 1.0 | 30–5.0 | 15.3 | 17.5 | 10.9 | 9.1 | b′ | Native, no new Fe2S2 anomalous peak | |
| 1SQB | B. taurus | Azo Pm/− | 0.9189 | 30–5.0 | 10.7 | 13.6 | 8.5 | 5.3 | b′ | No new Fe2S2 anomalous peak | |
| 6NHGd | B. taurus | Azo Pm/− | 1.736 | 30- 3.5 | 47.7 | 58.4 | 30.9 | 10.0 | b′ | 4.5 (76.04, 37.51, 179.84) 6.5 (68.58, 46.21, 190.19) |
Three additional anomalous peaks for Fe2S2, very strong anomalous signal for S and P atoms |
| 3.7 (65.40, 50.47, 193.93) | |||||||||||
| 6NHHd | R. sphaeroides | Azo Pm/− | 1.0 | 30–5.0 | 8.1 | 4.6 | 6.1 | 5.9 | c1′ | No new peaks above 3.5σ cutoff. There are several peaks above 3σ (Table 1) | |
| 5.5 | 5.6 | 6.6 | 3.3 | c1′ | |||||||
| 3H1K | Gallus gallus | IKR Pm/UQ | 1.283 | 30–4.5 | 9.1 | 8.7 | 7.9 | 4.5 | c1′ | Fairly weak anomalous signal, except for Zn2+ and iodine of the inhibitor | |
| 6.5 | 6.2 | 6.1 | 1.0 | c1′ | |||||||
| 1SQP | B. taurus | Myx Pm/− | 1.0 | 30–5.0 | 11.5 | 10.9 | 7.9 | 5.3 | b′ | No new Fe2S2 anomalous peak | |
| 1SQQ | B. taurus | MOAS Pm /UQ | 1.736 | 30–4.5 | 24.4 | 28.2 | 18.8 | 6.1 | b′ | 4.20 (77.47, 36.66, 178.10) | Two new Fe2S2 anomalous peaks |
| 3.70 (70.21, 45.29, 189.92) | |||||||||||
| 1NU1 | B. taurus | −/NQNO | 1.2 | 30–4.3 | 11.9 | 15.9 | 7.6 | 13.0 | b′ | No significant new Fe2S2 anomalous peak | |
| 4D6T | B. taurus | −/GW 844520 | 0.979 | 30–5.0 | 5.8 | 4.0 | 5.4 | 2.7 | b′ | No extra anomalous Fe2S2 peak, very noisy, weak | |
| 5.0 | 3.1 | 4.6 | 0 | ||||||||
| 4D6U | B. taurus | −/GSK 932121 | 0.979 | 30–5.0 | 2.9 | 3.1 | 3.3 | 3.5 | b′ | No extra anomalous Fe2S2 peak, very noisy, weak | |
| 3.2 | 3.8 | 2.9 | 1.0 | b′ | |||||||
| 1SQV | B. taurus | UHDBT Pf/- | 1.2 | 30–4.5 | 13.8 | 16.6 | 9.8 | 17.8 | b | Very clean, no extra anomalous peak | |
| 1L0L | B. taurus | Fam Pf/− | 1.0 | 30–5.0 | 20.7 | 24.2 | 16.9 | 29.4 | b | Very clean, no extra anomalous peak | |
| 2FYU | B. taurus | JG144 Pf/− | 1.009 | 30–5.0 | 15.7 | 17.6 | 13.0 | 24.5 | b | Very clean, no extra anomalous peak | |
| 5KLV | B. taurus | Fen Pf/− | 1.0 | 30- 5.0 | 13.9 | 17.8 | 11.5 | 16.9 | b | No additional anomalous peak, very clean | |
| 5KKZ | R. sphaeroides | Fam Pf/− | 1.0 | 30–5.0 | 5.5 | 5.7 | 8.0 | 9.8 | b | No additional anomalous peak, very clean | |
| 6.9 | 6.9 | 6.9 | 8.0 | b | |||||||
| 6.3 | 7.4 | 7.1 | 7.7 | b | |||||||
| 7.5 | 5.8 | 5.5 | 7.6 | b | |||||||
| 1SQX | B. taurus | Stig Pf/UQ | 1.0 | 30–5.0 | 12.0 | 11.2 | 11.1 | 15.7 | b | Very clean, no extra anomalous peak | |
| 2YIU | B. taurus | Stig Pf/− | 0.9763 | 30- 5.0 | 3.6 | 4.7 | 5.4 | 5.9 | b | No additional anomalous peak | |
| 5.3 | 2.7 | 5.0 | 6.4 | b | |||||||
a Inhibitor or substrate bound at the P- and/or N-site.
b Anomalous peak height is given as number of standard deviations above mean value of the map, and a 3.5 σ cutoff value is imposed.
c ISP states include the b-state and the b′-state.
d PDB code is from this work.