Table 2. Summary of X-ray data and model parameters.
| Data collection | |
| Resolution rangea (Å) | 21.93–2.20 (2.32–2.20) |
| Unique reflections | 72233 (10355) |
| Completenessa (%) | 97.4 (95.4) |
| Redundancy | 3.7 (3.5) |
| Rmerge a , b | 0.067 (0.241) |
| <I>/<σI>a | 14.6 (5.8) |
| Wilson B value (Å2) | 23.5 |
| Refinement | |
| Rcryst c (based on 95% of data; %) | 18.0 |
| Rfree c (based on 5% of data; %) | 25.0 |
| Coordinate errord (Å) | 0.302 |
| Ramachandran most favourede (%) | 97.4 |
| Ramachandran outlierse | 2 |
| rmsd bond distances (Å) | 0.011 |
| rmsd bond angles (°) | 1.481 |
| Contents of model (molecules/non-hydrogen atoms) | |
| Protein (residues/atoms) | 1289/10788 |
| m7GTP (molecules/atoms) | 8/232 |
| Waters | 790 |
| Average temperature factors f (Å2) | |
| Main-chain atoms | 22.6 |
| Side-chain atoms | 22.7 |
| m7GTP | 32.8 |
| Waters | 26.0 |
| Overall | 23.1 |
| PDB accession code | 2WMC |
a
The figures in brackets indicate the values for outer resolution shell.
b
Rmerge = Σh Σl |Ihl−<Ih>|/Σh Σl <Ih>, where Il is the lth observation of reflection h and <Ih> is the weighted average intensity for all observations l of reflection h.
c
The R-factors Rcryst and Rfree are calculated as follows: R = Σ(| Fobs−Fcalc |)/Σ| Fobs |×100, where Fobs and Fcalc are the observed and calculated structure factor amplitudes, respectively.
d
Estimate of the overall coordinate errors calculated in REFMAC5 [60].
e
As calculated using MOLPROBITY [67].
f
From TLSANL [68] output.