Table 1.
Ig1–2 rm | Ig 1–2 (Form 2) | Slit2 D2 | Slit2 D2-Ig1 | |
---|---|---|---|---|
Data set | ||||
Resolution, Å | 30–2.5 | 30–2.0 | 30–2.0 | 30–1.7 |
Wavelength, Å | 1.005 | 0.939 | 0.939 | 0.954 |
Completeness (outer shell), % | 96.1 (80.1) | 96.5 (88.3) | 95.2 (93.4) | 98.1 (94.9) |
Rmerge* (outer shell), % | 5.2 (26.9) | 6.4 (28.7) | 11.6 (39.2) | 8.2 (53.4) |
Average I/σ(I) (outer shell) | 12.1 (3.1) | 13.4 (4.3) | 8.1 (4.0) | 12.9 (2.5) |
Refinement | ||||
Reflections | 9334 | 14074 | 60317 | 41951 |
Rfactor† (free Rfactor), % | 22.7 (28.0) | 25.8 (33.5) | 21.3 (26.2) | 18.6 (22.6) |
rmsd bond, Å/angles, ° | 0.013/1.60 | 0.013/1.70 | 0.016/1.70 | 0.015/1.56 |
*Rmerge = ΣhklΣi IIi(hkl) − 〈(hkl)〉IIIΣhkl Σi Ii(hkl).
†Rfactor = ΣhklIIFobsI − IFcalcIIIΣhkl IFobsI.