Table 1.
Data collection statistics
| Data set | Res., Å | Reflections unique/total | Rmerge (%)* | Aver I/σ | Completeness (%) | Riso (%)† | Phasing power‡ | Rcullis§ |
|---|---|---|---|---|---|---|---|---|
| Native | 2.3 | 22,632/176,811 | 4.0 (11.5) | 23.9 | 99.0 (99.8) | — | — | — |
| PCMBS | 2.8 | 12,696/199,928 | 6.3 (14.1) | 24.0 | 100 (100) | 20.3 (23.6) | 1.43 | 0.75 (0.86) |
| AgNO3 | 3.0 | 10,368/69,049 | 10.8 (21.8) | 12.2 | 99.0 (97.6) | 24.3 (8.8) | 0.68 | 0.91 |
PCMBS, p-chloromercuribenzenesulfonate.
*Rmerge = ΣΣj|Ij − 〈I〉|/Σ〈I〉.
†Riso = Σ∥Fph| − |Fp∥/Σ|Fp|. Values in parentheses are weighted R factors calculated with the program scaleit (38).
‡Phasing power = FH/lack of closure. Phasing statistics are calculated with the program mlphare (25) to 3.0-Å resolution. The overall figure of merit is 0.51.
§Rcullis = ∑||Fph ± Fp| − |Fh,c||/∑|Fph ± Fp|. Value in parentheses is for anomalous signal.