Table 1. X-ray data-collection and refinement statistics for native MBP-CAMP.
Values in parentheses are for the highest resolution shell.
| Data collection | |
| Space group | P6522 |
| a, b, c (Å) | 145.64, 145.64, 156.38 |
| α, β, γ (°) | 90, 90, 120 |
| Resolution (Å) | 50–3.00 (3.18–3.00) |
| No. of reflections (total/unique) | 419717/20079 |
| Multiplicity | 20.9 (21.4) |
| Completeness (%) | 99.5 (99.7) |
| 〈I/σ(I)〉 | 32.0 (1.9) |
| R meas † (%) | 6.3 (195.9) |
| CC1/2 (%) | 100.0 (77.5) |
| Refinement | |
| Resolution (Å) | 50–3.0 |
| No. of protein atoms | 4502 |
| No. of solvent/heteroatoms | 38 |
| R.m.s.d., bond lengths (Å) | 0.0102 |
| R.m.s.d., bond angles (°) | 1.221 |
| R work ‡ (%) | 23.80 |
| R free § (%) | 31.53 |
| Ramachandran plot¶ | |
| Favored | 87.6 |
| Disallowed | 0 |
| PDB code | 5y2g |
†
Rmeas = \textstyle \sum_{hkl}\{N(hkl)/[N(hkl)-1]\}^{1/2}\sum_{i}|I_{i}(hkl)- \langle I(hkl)\rangle|/\textstyle \sum_{hkl}\sum_{i}I_{i}(hkl), where I i(hkl) and 〈I(hkl)〉 are the ith and the mean measurement of the intensity of reflection hkl.
‡
Rwork = \textstyle \sum_{hkl}\big ||F_{\rm obs}|-|F_{\rm calc}|\big |/ \textstyle \sum_{hkl}|F_{\rm obs}|, where F obs and F calc are the observed and calculated structure factors, respectively. No I/σ(I) cutoff was applied.
§
Rfree is the R value obtained for a test set of reflections consisting of a randomly selected 5% subset of the data set excluded from refinement.
¶
Values from the MolProbity server (http://molprobity.biochem.duke.edu/).