4XZ9
Transaldolase variant E60Q/F132Y from T. acidophilum in complex with DHA Schiff base and G3P
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-12 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 148.869, 172.073, 100.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.078 - 1.800 |
| R-factor | 0.1637 |
| Rwork | 0.162 |
| R-free | 0.19380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3soc |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.363 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.100 | 1.900 | |
| High resolution limit [Å] | 1.800 | 100.000 | 1.800 |
| Rmerge | 0.041 | 0.410 | |
| Rmeas | 0.045 | 0.452 | |
| Total number of observations | 668834 | ||
| Number of reflections | 118576 | 17598 | |
| <I/σ(I)> | 23.26 | 3.96 | |
| Completeness [%] | 99.9 | 99.9 | |
| Redundancy | 5.64 | 5.66 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 200 mM ammonium acetate pH 4.4, 10% (w/v) PEG 6000 and 25% (v/v) glycerol |
