Table 1.
Crystal Data Collection and Refinement Statistics
| Crystal Data: UTP-Mg | Remote | Peak | Inflection |
|---|---|---|---|
| Wavelength (Å) | 0.97876 | 0.91837 | 0.97935 |
| Beamline* | 11-1 | 11-1 | 11-1 |
| Space Group | P21 | P21 | P21 |
| Cell Dimensions | a = 63.7 Å | a = 63.7 Å | a = 63.7 Å |
| b = 103.4 Å | b = 103.4 Å | b = 103.4 Å | |
| c = 63.7 Å | c = 63.8 Å | c = 63.8 Å | |
| β = 109.6° | β = 109.6° | β = 109.6° | |
| Resolution range (Å) | 50 – 2.30 | 50 – 2.30 | 50 – 2.30 |
| Total Reflections | 254,819 | 251,137 | 251,735 |
| Unique Reflections& | 67,571 | 67,371 | 67,988 |
| Redundancy | 3.8 (3.5) | 3.7 (3.4) | 3.7 (3.2) |
| Completeness (%) | 99.6 (98.7) | 99.1 (97.0) | 98.9 (96.3) |
| Mean I/σI | 21.7 (3.0) | 21.2 (2.9) | 20.3 (2.5) |
| Rsym (%) | 9.2 (48.0) | 9.3 (47.9) | 9.3 (51.7) |
| Crystal Data: | UTP | Apo |
|---|---|---|
| Wavelength (Å) | 0.97945 | 0.97945 |
| Beamline* | 11-1 | 11-1 |
| Space Group | P21 | P21 |
| Cell Dimensions | a = 62.9 Å | a = 63.2 Å |
| b = 102.0 Å | b = 102.0 Å | |
| c = 66.1 Å | c = 66.1Å | |
| β = 111.6° | β = 112.0° | |
| Resolution range (Å) | 99 – 1.95 | 99 – 1.56 |
| Total Reflections | 193,869 | 394,941 |
| Unique Reflections | 54,477 | 108,380 |
| Redundancy | 3.6 (3.0) | 3.6 (3.0) |
| Completeness (%) | 96.6 (84.0) | 98.2 (90.3) |
| Mean I/σI | 12.8 (2.2) | 25.2 (2.0) |
| Rsym (%) | 12.7 (49.1) | 6.8 (53.1) |
| Refinement: | UTP-Mg | UTP | Apo |
|---|---|---|---|
| Resolution range (Å) | 31.71 – 2.30 | 31.05 – 1.95 | 31.41 – 1.56 |
| Structure factors used | 30,731 | 51,550 | 102,739 |
| Rwork/Rfree† (%) | 19.8/24.8 | 20.4/24.6 | 16.2/20.3 |
| R.m.s.d. bonds(Å) | 0.014 | 0.013 | 0.013 |
| R.m.s.d. angles (°) | 1.5 | 1.4 | 1.4 |
| Number of Atoms/Avg. B value (Å2) | |||
| Protein | 6,182/29.1 | 6,261/17.4 | 6237/15.8‡ |
| Waters | 170/29.2 | 567/26.1 | 879/28.8‡ |
| UTP | 58/37.4 | 58/33.9 | |
| Mg | 2/32.3 | ||
| Ramachandran plot (favored/allowed/generously allowed, %)§ | 86.8/13.2/0 | 91.2/8.8/0 | 91.1/8.9/0 |