Table 1.
Crystallographic statistics for data collected on native and selenomethionine ArnA decarboxylase and formyltransferase domains
| ArnA decarboxylase domain | ArnA formyltransferase domain | |||||||
|---|---|---|---|---|---|---|---|---|
| Data collection | ||||||||
| Peak | Inflection | Remote | Native | Peak | Inflection | Remote | Native | |
| Resolution (Å) | 61-3.35 | 88-2.30 | 24-1.6 | 28-1.2 | ||||
| Highest shell (Å) | 3.43-3.35 | 2.42-2.30 | 1.63-1.6 | 1.26-1.2 | ||||
| Wavelength (Å) | 0.9798 | 0.9710 | 0.9392 | 0.933 | 0.9793 | 0.9796 | 0.9393 | 0.934 |
| Unique reflections | 15066 | 15065 | 15047 | 25245 | 77800 | 77914 | 77900 | 183672 |
| Multiplicity | 65 (67) |
21 (21) |
21 (21) |
16.3
(11.4) |
4.4 (4.5) |
4.4 (4.5) |
4.3 (4.4) |
4.9
(4.9) |
| Completeness (%) | 100 (100) |
100 (100) |
100 (100) |
97.8
(100) |
96.8 (95.8) |
96.9 (95.8) |
96.8 (95.8) |
98.3
(98.3) |
| Rmerge (%) | 14.3 (31.1) |
12.4 (27.1) |
13.4 (29.7) |
7.0
(36.9) |
5.1 (11.5) |
5.1 (11.3) |
5.1 (11.3) |
6.2
(29.7) |
| I/σ | 4.4 (2.2) |
4.7 (1.5) |
5.3 (2.5) |
7.8
(2.1) |
8.8 (6.3) |
8.9 (6.2) |
8.8 (6.2) |
7
(2.4) |
|
Structure
solution |
||||||||
| Monomers in a.u. | 1 | 2 | ||||||
| Se sites | 4 | 8 | ||||||
| z-score | 13.8 | 21.3 | ||||||
| Phasing power | 0.52 | 0.64 | ||||||
| Refinement | ||||||||
| Rmsd2 bond length (Å)/angles (°) |
0.019/1.63 | 0.019/1.93 | ||||||
| Rfactor/RFREE(%) |
18.6/23.0
(21.1/26.5) |
13.5/15.7
(14.4/18.2) |
||||||
| Residues in most favored regions3 (%) |
90 | 92 | ||||||
| Residues in allowed regions3 (%) |
10 | 8 | ||||||
| PDB code | 2b11 | 2bln | ||||||
1
Numbers in parenthesis correspond to highest resolution shell.
2
Rmsd root mean square deviation
3
These refer to the Ramachandran plot and are defined by PROCHECK (49).