Table 1. Data and refinement statistics for HoAraf43.
Values in parentheses are for the outer shell.
| Data statistics | |
| Space group | P21 |
| Molecules per asymmetric unit | 2 |
| Wavelength () | 0.9795 |
| Unit-cell parameters | |
| a () | 44.13 |
| b () | 73.88 |
| c () | 87.52 |
| () | 90 |
| () | 94.26 |
| () | 90 |
| Resolution range () | 44.011.10 (1.201.10) |
| R merge (%) | 2.9 (22.4) |
| R meas (%) | 3.2 (24.6) |
| No. of measured reflections | 1404460 (273638) |
| No. of unique reflections | 213964 (46299) |
| Mean I/(I) | 30.2 (7.7) |
| Completeness (%) | 94.5 (89.3) |
| Multiplicity | 6.6 (5.9) |
| CC1/2 † (%) | 100 (96.9) |
| Wilson B factor (2) | 10.0 |
| Crystallographic refinement | |
| R factor/R free (%) | 12.2/14.5 |
| Total No. of non-H atoms | 6121 |
| No. of protein atoms | 5026 |
| Other molecules/ions | 3 HEPES, 2 Na |
| No. of waters | 1032 |
| R.m.s. deviation from standard geometry | |
| Bond lengths () | 0.009 |
| Bond angles () | 1.33 |
| Average B factors (2) | |
| Protein | 12.0 |
| Water | 26.0 |
| Ramachandran statistics | |
| Allowed region (%) | 96.2 |
| Favoured region (%) | 99.8 |
| Outliers (%) | 0.2 |
†
CC1/2 is the percentage correlation between intensities from random half data sets. The values given represent correlations significant at the 0.1% level (Karplus Diederichs, 2012 ▶). Shells with CC1/2 exceeding 50% have been included.