Table 1. Data-collection and refinement statistics.
Values in parentheses are for the highest resolution shell.
| Remote | Zn K edge | |
|---|---|---|
| Space group | P213 | P213 |
| Unit-cell parameters (Å) | a = 164.16 | a = 164.34 |
| Matthews coefficient (Å3 Da−1) | 5.98 | 6.00 |
| Solvent content (%) | 79.46 | 79.53 |
| Data collection | ||
| Temperature (K) | 100 | 100 |
| Wavelength (Å) | 1.2947 | 1.2804 |
| Resolution (Å) | 30.00–2.20 (2.34–2.20) | 25.00–2.40 (2.55–2.40) |
| Total reflections | 284663 (31379) | 339743 (39534) |
| Unique reflections | 73371 (11622) | 57620 (9413) |
| Multiplicity | 3.9 (2.7) | 5.9 (4.2) |
| 〈I/σ(I)〉 | 20.9 (1.6) | 23.1 (2.4) |
| Completeness (%) | 98.2 (94.1) | 99.6 (98.5) |
| Rmerge† (%) | 6.9 (47.4) | 10.6 (53.1) |
| Anomalous completeness (%) | 89.8 | 96.6 |
| Refinement | ||
| No. of atoms | 4445 | 4438 |
| Average B values (Å2) | ||
| Protein | 50.4 | 45.8 |
| Metals | 46.4 | 49.8 |
| Ligands | 65.0 | 65.8 |
| Waters | 48.1 | 43.0 |
| Rwork/Rfree‡ | 17.0/18.9 (28.5/29.9) | 15.9/17.9 (26.1/26.5) |
| E.s.u. (maximum likelihood) (Å2) | 6.81 | 7.86 |
| Ramachandran outliers | 0.0 | 0.0 |
| Ramachandran favoured | 97.0 | 97.0 |
| R.m.s.d. from standard geometry | ||
| Bond lengths (Å) | 0.014 | 0.014 |
| Bond angles (°) | 1.602 | 1.607 |
| PDB code | 2zo9 | 2zoa |
†
R
merge = 
. 〈I(hkl)〉 is the average intensity of the i observations.
‡
R
work = 
|; 5% of data that were excluded from refinement were used to calculate R
free.