5XSM
Crystal Structure of Transketolase in complex with TPP intermediate IV 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 | 2014-08-18 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.7 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 100.946, 184.259, 98.793 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.893 - 0.970 |
| R-factor | 0.1384 |
| Rwork | 0.138 |
| R-free | 0.14620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hyv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.208 |
| 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 | 1.000 |
| High resolution limit [Å] | 0.970 | 0.970 |
| Rmerge | 0.102 | 0.672 |
| Number of reflections | 537705 | |
| <I/σ(I)> | 22.6 | 3.5 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 13.6 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M MES, 0.1M NaCl, PEG 400 |
