Table 1. Crystallographic data and model statistics for the two structures.
| Dataset | ArCE4A-Ni2+ | ArCE4A-(GlcNAc)2 |
|---|---|---|
| PDB code | 5LFZ | 5LCG |
| Data collection | ||
| Source | ESRF ID29 | ESRF ID29 |
| Detector | Dectris Pilatis 6M | Dectris Pilatis 6M |
| Wavelength | 0.97625 | 0.97625 |
| No. of frames | 1800 | 1350 |
| Oscillation range per frame | 0.1 | 0.1 |
| Diffraction data | ||
| Space group | P 21 21 21 | P 21 21 21 |
| Unit cell parameters | a = 39.09 Å b = 56.77 Å c = 76.86 Å | a = 40.49 Å b = 56.41Å c = 82.42 Å |
| No of measurements | 155223 | 50017 |
| Unique reflections | 46454 | 11021 |
| Resolution range | 34.84–1.56 | 36.3–2.09 |
| Completeness | 99.7 (95.7) | 93.9 (71.3) |
| Observed R factor (%) | 4.1 (111) | 5.2 (29.6) |
| R-meas | 4.9 (133) | 5.8 (33.9) |
| Rpim | 2 (65.0) | 2.4 (17.2) |
| Average I/sigmaCC(1/2) | 12.82 (0.95) 99.9* (44.6*) |
17.6 (3.7) 99.9* (93.6*) |
| Refinement | ||
| Resolution limits | 34.84–1.56 | 36.3–2.09 |
| Free reflections | 8.03% | 5.15% |
| No. of protein atoms | 1602 | 1558 |
| No. of heterogen atoms | 1 | 29 |
| No. of waters | 107 | 40 |
| R factor (overall/free) (%) | 0.178, 0.205 | 0.185, 0.223 |
| Wilson B factor | 24.6 | 33.3 |
| R.m.s.d | ||
| Bonds | 0.005 | 0.006 |
| Angles | 0.957 | 0.930 |
| Ramachandran | ||
| Favored (%) | 98 | 98 |
| Allowed (%) | 2 | 2 |
| Outliers | 0 | 0 |
* Correlation significant at the 0.1% level.