Table 1.
T-crystal | C-crystal | |
---|---|---|
Space group | P212121 | P21 |
Unit cell, Å | 72.13, 124.61, 178.49 | 87.32, 68.98, 116.36 |
β angle, ° | — | 108.52 |
Resolution, Å | 50.0–2.4 | 50.0–1.95 |
No. unique reflections, completeness % | 59,826 (93.8%) | 88,320 (92.0%) |
Redundancy | 5.4 | 2.6 |
Rsym*, % | 5.5 | 8.6 |
No. of protein atoms | 10,852 | 10,956 |
No. of hetero atoms | 30 | 52 |
No. of waters | 0 | 1,335 |
Ligands present in electron density | l-tryptophan | Glutamyl, benzoate, pyruvate, Mg2+ |
R factor, % | 24.8 | 18.1 |
Free R factor, % | 31.8 | 24.6 |
rms deviation bond lengths, Å | 0.018 | 0.014 |
rms deviation bond angles, ° | 2.08 | 1.84 |
rms deviation dihedral angles, ° | 25.19 | 24.92 |
rms deviation improper angles, ° | 1.35 | 1.20 |
Mean B factor, Å2 | 60.85 | 24.19 |
ΣhklΣi|Ii − 〈I〉|/(ΣhklΣiIi)