5XSA
Crystal Structure of Transketolase in complex with TPP intermediate III from Pichia Stipitis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-30 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.7 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 101.272, 185.469, 98.917 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.628 - 0.975 |
| R-factor | 0.1421 |
| Rwork | 0.141 |
| R-free | 0.15340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hyv |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.287 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | |
| High resolution limit [Å] | 0.890 | |
| Rmerge | 0.110 | 0.640 |
| Number of reflections | 690531 | |
| <I/σ(I)> | 16.9 | |
| Completeness [%] | 98.8 | |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M MES, 0.1M NaCl, PEG 400 |
