Table 1. Data-collection and refinement statistics.
Values in parentheses are for the highest resolution bin.
| Wild-type Mac-1 (PDB code 2au1) | Pseudo-orthorhombic C94A mutant of Mac-1 | Monoclinic C94A mutant of Mac-1 (PDB code 2avw) | |
|---|---|---|---|
| Data collection | |||
| Space group | P21212 | P21212 | P21 |
| Unit-cell parameters (Å, °) | a = 63.9, b = 87.1, c = 57.6 | a = 65.5, b = 94.5, c = 49.8 | a = 107.0, b = 65.5, c = 137.2, β = 105.8 |
| Resolution limits (Å) | 20–2.4 (2.5–2.4) | 20–2.0 (2.1–2.0) | 20–2.0 (2.1–2.0) |
| Total observations | 74919 | 116864 | 287746 |
| Unique reflections | 11918 | 19911 | 114364 |
| Completeness (%) | 90.4 (50.3) | 94.1 (67.9) | 92.8 (75.3) |
| Rmerge† (%) | 11.3 (31.4) | 7.7 (36.7) | 8.1 (33.9) |
| 〈I/σ(I)〉 | 14.4 (2.0) | 19.0 (2.4) | 13.5 (1.5) |
| Refinement | |||
| Resolution (Å) | 20–2.4 | 20–2.0 | |
| No. of protein atoms | 2321 | 13901 | |
| No. of solvent atoms | 96 | 995 | |
| Rcryst (%) | 21.6 | 21.8 | |
| Rfree (%) | 26.6 | 26.7 | |
| Mean B factor (Å2) | 33.4 | 35.1 | |
| R.m.s.d. bond lengths (Å) | 0.009 | 0.009 | |
| R.m.s.d. bond angles (°) | 1.3 | 1.4 |
†
R
merge = 100 × 
, where 〈I(hkl)〉 is the mean intensity of multiple measurements of symmetry-equivalent reflections.