Table 1.
Crystallographic data and refinement statistics
| TREX1 | Apoprotein | D18N | D200H | D200N | V201D |
|---|---|---|---|---|---|
| Space group | P212121 | P21 | P21 | P21 | P212121 |
| Unit cell, Å | a=64.2, | a=64.0, | a=65.2, | a=64.9, | a=70.5, |
| b=85.7, | b=58.8, | b=57.9, | b=56.6, | b=86, | |
| c=100.3 | c=66.5 | c=68.3 | c=68.1 | c=92.8 | |
| α,β,γ=90° | α,γ=90° | α,γ=90° | α,γ=90.0° | α,β,γ=90° | |
| β=110.3° | β=108° | β=108° | |||
| Molecules/asymmetric unit | 2 | 2 | 2 | 2 | 2 |
| Wavelength, Å | 1.54 | 1.54 | 1.54 | 1.54 | 1.54 |
| Resolution, Å | 29-1.95 | 43-2.55 | 23-2.3 | 33-2.3 | 47-1.75 |
| Completeness, % | 99.7 (97.1) | 96.6 (95.1) | 99.5 (99.5) | 99.7 (99.6) | 99 (91.2) |
| Rmerge, %a | 5.7 (27.6) | 10 (23) | 7.2 (29.3) | 9.0 (34.6) | 6.8 (24.0) |
| Mean I/σ | 16 (4.1) | 10.9 (4.5) | 8.8 (3.7) | 13.8 (4.0) | 11.9 (3.4) |
| Average redundancy | 6.7 | 6.9 | 3.5 | 7 | 5.7 |
| R-factor, %b | 20.4 | 20.9 | 21.5 | 21.9 | 17.2 |
| Rfree, %b | 23.7 | 26.2 | 27.5 | 28.7 | 20.3 |
| Average Wilson B-factor, Å2 | 24.7 | 26.9 | 33.8 | 36.5 | 19 |
| Root mean square deviation bond lengths, Å | 0.007 | 0.008 | 0.005 | 0.008 | 0.010 |
| Root mean square deviation bond angles, ° | 1.069 | 1.291 | 1.002 | 1.273 | 1.279 |
Statistics for outer resolution shell are given in parentheses.
a
Rmerge = Σ|I-〈I〉|/ΣI where I is the observed intensity and 〈I〉 is the average intensity.
b
R factor = Σ||Fo|-|Fc||/Σ|Fo|. Rfree is the same as R, but calculated with 5% of the reflections that were never used in crystallographic refinement.