Table 2. Refinement progress.
| Refinement step | Rcryst/Rfree (%) | H2O | Comment |
|---|---|---|---|
| First round | 22.5/26.1 | 284 | Input model from ARP/wARP |
| Second round | 20.2/24.4 | 281 | + riding H atoms |
| Third round | 16.9/22.1 | 349 | + restrained anisotropy |
| Final round(s) | 14.8/21.2 | 543 |
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