| Apo | Malate-bound |
Data collection |
|
|
Space group | P212121 | C2 |
Cell dimensions |
|
|
a, b, c (Å) | 59.93, 87.79, 124.04 | 265.39, 85.60, 56.01 |
α, β, γ (˚) | 90.00, 90.00, 90.00 | 90.00, 101.73, 90.00 |
Resolution (Å) | 50 - 1.65 (1.68 - 1.65)a | 50.0 - 1.97(2.00 - 1.97)a |
Rsym or Rmerge | 0.06 | 0.070 |
I/σI | 36.3 (1.2) | 21.9 (2.4) |
Completeness (%) | 99.3 (90.2) | 99.2 (93.2) |
Redundancy | 13.6 (7.7) | 5.9 (4.8) |
Unique reflections | 78578 | 83288 |
Refinement |
|
|
Resolution (Å) | 50 - 1.65 | 50.0 - 1.97 |
No. reflections | 67,495 | 78,469 |
Rwork/Rfree | 0.188/0.221 | 0.189/0.224 |
No. atoms |
|
|
Protein | 3681 | 7453 |
Water | 704 | 376 |
B-factors |
|
|
Protein | 15.5 | 37.2 |
Water | 27.9 | 32.4 |
R.m.s. deviations |
|
|
Bond lengths (Å) | 0.022 | 0.018 |
Bond angles (˚) | 1.741 | 1.873 |
Ramachandran Plotb |
|
|
Favored regions (%) | 100 | 98.6 |
Outliers (%) | 0 | 0 |