Table I. Summary of the crystallographic analysis.
| Data collection statistics | |
| Space group | P212121 |
| Unit cell parameters (Å) | a = 104.9, b = 110.4, c = 192.6 |
| Resolution (Å) | 50–3.1 |
| Reflections (total/unique) | 517 812 (39 551) |
| Completeness (%) | 99.5 (99.9)a |
|
Rsymb |
0.056 (0.299)c |
| Refinement statisticsc | |
| Resolution (Å) | 40–3.1 |
| Reflections | 38 264 |
| Rcryst/Rfreed | 0.223/0.292 |
| R.m.s.ds | |
| bonds (Å) | 0.0069 |
| angles (°) | 1.14 |
| Average B-factors (Å2) | |
| protein | 62.05 |
| DNA | 132.93 |
| solvent | 56.7 |
aValue in parentheses is for the highest resolution shell: 3.15–3.1 Å.
bRsym = Σ|Ih – <Ih>|/ΣIh, where <Ih> is the mean of measurements for a single hkl.
cAtomic model: 757 amino acids (H2A, 15–124; H2A′, 12–119; H2B, 30–122; H2B′, 29–124; H3, 38–134; H3′, 38–134; H4, 24–102; H4′, 18–102), 60 water molecules and 17 manganese ions (a total of 12 129 atoms). The remainder of the histone tails was too disordered to be included in the final model.
dRcryst = Σ|Fobs – Fcalc|/ΣFobs.