Table 1. Data-processing and refinement statistics for ScUGPase-1.
| Data Collection | |
| Radiation source | MX2 (AS*) |
| Wavelength (Å) | 0.9537 |
| Space group | P1 |
| Cell dimensions | |
| a, b, c (Å) | 61.35, 66.79, 74.78 |
| Angles (°) | 75.62, 79.00, 77.52 |
| Resolution range (Å) | 42.73–2.00 (2.04–2.00) |
| Rmergea | 0.123 (0.493) |
| Rmeas (within I+/I-) | 0.173 (0.697) |
| Rmeas (all I+ & I-) | 0.138 (0.488) |
| Mean I//σ(I) | 5.6 (2.1) |
| Completeness (%) | 97.5 (95) |
| Multiplicity | 2.0 (1.9) |
| Molecules in ASU | 2 |
| Model used for MR | 1Z90 (Chain A) |
| Refinement | |
| No. reflections (work/test) | 73174 (2000) |
| Rworkb, Rfreec (%) | 19.30/22.90 |
| No. atoms | |
| Protein | 7065 |
| Ligand/ion | 52 |
| Solvent | 353 |
| R.m.s deviations | |
| Bond lengths (Å) | 0.007 |
| Bond angles (°) | 0.838 |
| Ramachandran plot: (% in favoured/outlier regions) | 98.65/0.0 |
| MolProbity clashscore | 2.44 |
| PDB code | 5WEG |
* Australian Synchrotron
a Rmerge = Σhkl(Σi(|Ihkl,i−〈Ihkl〉|))/Σhkl,i〈Ihkl〉, where Ihkl,i is the intensity of an individual measurement of the reflection with Miller indices h, k and l, and 〈Ihkl〉 is the mean intensity of that reflection. Calculated for IN−3 σ(I).
b Rwork = Σhkl(||Fobs,hkl|−|Fcalc,hkl||)/|Fobs,hkl|,where |Fobs,hkl| and |Fcalc,hkl| are the observed and calculated structure factor amplitudes, respectively.
c Rfree is equivalent to Rcryst but calculated with reflections (5%) omitted from the refinement process.