Data collection | λ 1MADSe | λ 2MADSe | λ 3MADSe |
---|---|---|---|
Wavelength (Å) | 0.97949 | 0.91837 | 0.97897 |
Resolution range (Å) | 29.437-1.800 | 29.412-1.801 | 29.399-1.803 |
No. of observations | 49,068 | 49,153 | 48,819 |
No. of unique reflections | 19,523 | 19,533 | 19,440 |
Completeness (%) | 95.3 (94.6)a | 95.5 (93.5)a | 94.9 (90.2)a |
Mean I/σ(I) | 8.50 (1.69)a | 8.31 (1.67)a | 8.08 (1.51)a |
R sym on I (%)† | 6.3 (48.0)a | 6.4 (45.7)a | 6.8 (55.5)a |
R meas on I (%)‡ | 9.1 (63.8)a | 9.6 (64.7)a | 10.5 (74.3)a |
Highest resolution shell (Å) | 1.86-1.80 | 1.86-1.80 | 1.86-1.80 |
Model and refinement statistics | |||
Resolution range (Å) | 29.44-1.80 | ||
No. of reflections (total) | 19,518 | ||
No. of reflections (test) | 1,004 | ||
Completeness (%total) | 99.0 | ||
Data set used in refinement | λ 1 MADSe | ||
Cutoff criteria | |F| > 0 | ||
R cryst ¶ | 0.175 | ||
R free § | 0.204 | ||
Stereochemical parameters | |||
Restraints (RMSD observed) | |||
Bond angle (°) | 1.386 | ||
Bond length (Å) | 0.014 | ||
Average isotropic B-value (Å2) | 11.273 | ||
ESU†† based on Rfree (Å) | 0.125 | ||
Protein residues/atoms | 228/1791 | ||
Water/Ions | 193 |