Table 1. Data collection and refinement statistics
|
yHst2/carba-NAD+/ histone H4 |
yHst2/ADP-ribose/ histone H4 |
|
|
Data collection |
||
|
Space group |
P3221 |
P3221 |
|
Cell parameters, Å |
a = b = 105.27, c = 66.61 |
a = b = 105.38, c = 66.16 |
|
Resolution, Å |
30-1.75 |
50-1.5 |
|
No. of unique reflections |
42,859 |
67,216 |
|
Completeness,* % |
99.2 (99.8) |
99.8 (94.3) |
|
Multiplicity |
12.9 |
13.1 |
|
I/Io* |
38.7 (8.1) |
36.9 (3.4) |
|
Rmerge,† % |
4.7 (32.4) |
6.4 (49.4) |
|
Refinement statistics |
||
|
Rworking,‡ % |
21.0 (29.3) |
21.4 (32.7) |
|
Rfree,§ % |
23.9 (33.0) |
23.0 (34.2) |
|
No. of atoms/B factors, Å2 |
||
|
Protein |
2,311/38.3 |
2,311/32.3 |
|
H4 histone |
66/49.5 |
66/42.4 |
|
Carba-NAD+ |
44/40.46 |
|
|
ADP-ribose |
36/29.0 |
|
|
Water |
293/50.4 |
349/43.8 |
|
Zn ions |
1/30.3 |
1/25.6 |
|
Cl ions |
1/58.8 |
1/47.6 |
|
Glycerol |
4/46.8 |
3/43.6 |
|
rms deviations |
||
|
Bond lengths, Å |
0.006 |
0.005 |
|
Bond angles, ˚ |
1.20 |
1.2 |
*Values in parentheses are from the highest-resolution shell.
†
Rmerge = å ç I – < I > ç / å < I > .‡
Rworking = å ç ç Foç – ç Fcç ç / å ç Foç .§
Rfree = å Tç ç Foç – ç Fcç ç / å Tbç Foç , where T is a test data set of percentage (5% for yHst2/carba-NAD+/histone H4 and 3.2% for yHst2/ADP-ribose/histone H4) of the total reflections randomly chosen and set aside before refinement.