Table 1.
Crystallographic data and refinement statistics for RSR-13:Deoxy Hb complex a
| Data collection statistics | |
| Unit cell dimensions | 63.20 83.56 53.86 99.16 |
| Resolution (Å) | 55.0–1.85 (1.91–1.85) |
| Observed reflection | 165826 (14162) |
| Unique reflection | 44139 (3912) |
| Completeness | 93.7 (85.1) |
| Rmergeb | 5.9 (27.1) |
| Refinement statistics | |
| a Numbers in parantheses refer to the outermost resolution bin. | |
| b Rmerge = Σ(<I> − I)/ΣI. | |
| c The Rfactor and Rfree are based on 95% and 5% of the reflections used in the refinement, respectively. | |
| Resolution (Å) | 55.0–1.85 (1.91–1.85) |
| Number of reflections | 44139 (9721) |
| Rfactorc | 17.7 (32.8) |
| Rfreec | 20.8 (34.8) |
| rmsd from ideal values | |
| Bond length (Å) | 0.011 |
| Bond angle (°) | 1.67 |
| average B-values (Å2) | |
| All non-hydrogen atoms | 22.2 |
| Protein atoms | 21.3 |
| Heme atoms | 19.4 |
| Water atoms | 36.2 |
| Effector atoms | 28.4 |
| estimated positional error (Luzzatti) | |
| Rfactor | 0.21 |
| Rfree | 0.25 |