Skip to main content
. 2001 May 22;98(11):6021–6026. doi: 10.1073/pnas.111150298

Table 1.

Data collection and refinement statistics

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