6TJ9
Escherichia coli transketolase in complex with cofactor analog 2'-methoxythiamine and substrate xylulose 5-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-02 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.760, 102.080, 133.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.660 - 0.950 |
| R-factor | 0.0992 |
| Rwork | 0.099 |
| R-free | 0.11020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qgd |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.205 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.660 | 1.030 |
| High resolution limit [Å] | 0.950 | 0.950 |
| Rmeas | 0.080 | 0.886 |
| Number of reflections | 751543 | 157167 |
| <I/σ(I)> | 12.46 | |
| Completeness [%] | 98.9 | 96.6 |
| Redundancy | 6.11 | 4.99 |
| CC(1/2) | 0.999 | 0.633 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 279.15 | PEG6000, Glycerol, Glycyl-Glycin |
