TABLE 1.
Crystallization and structure determination parameters of Hb and Mb Trp(E7) mutants
| Protein | DeoxyHb α(Trp-58(E7))β(WT) | HbCO α(WT)β(Trp-63(E7)) | MbCO Trp-64(E7) | DeoxyMb Trp-64(E7) |
|---|---|---|---|---|
| Protein Data Bank entry code | 3NMM | 3NL7 | 3NML | 3OGB |
| Crystal data | ||||
| Resolution range (Å) | 52.67–1.60 | 51.27–1.80 | 41.59–1.68 | 23.57–1.60 |
| Space group | P 21 | P 41212 | P 212121 | P 212121 |
| Unit cell parameters (Å, degrees) | a = 62.55, b = 81.83, c = 53.44, β = 99.76 | a = b = 53.21, c = 191.78 | a = 38.93, b = 46.96, c = 89.50 | a = 38.83, b = 47.13, c = 88.93 |
| Reflections (measured/unique) | 176,967/62,570 | 94,990/25,409 | 71,043/19,145 | 78,267/21,466 |
| Completeness (%) | 89.5 (72.3)a | 95.5 (98.8) | 98.9 (94.7) | 96.6 (91.0) |
| 〈I〉/σ〈I〉 | 15.9 (4.2) | 8.8 (3.5) | 19.7 (7.0) | 15.5 (4.1) |
| Redundancy | 2.83 (2.64) | 3.74 (3.46) | 3.71 (3.20) | 3.65 (3.66) |
| Rmerge (%) | 3.8 (18.7) | 7.4 (26.0) | 4.1 (13.4) | 4.3 (26.3) |
| Refinement | ||||
| Resolution range (Å) | 28.82–1.60 | 31.11–1.80 | 22.71–1.68 | 23.57–1.60 |
| R-Factor (%) | 17.3 | 18.6 | 16.6 | 18.0 |
| Rfree (%) | 19.8 | 23.3 | 19.6 | 20.3 |
| Root mean square deviations from ideal values | ||||
| Bond length (Å) | 0.013 | 0.028 | 0.019 | 0.006 |
| Bond angles (degrees) | 1.571 | 1.281 | 1.242 | 1.088 |
| Ramachandran plot | ||||
| Residues in most favorable region (%) | 94.4 | 93.2 | 92.8 | 92.0 |
| Residues in additional allowed region (%) | 5.6 | 6.8 | 7.2 | 8.0 |
a Parameters in parentheses are for the outer resolution shell.