3H4T
Chimeric Glycosyltransferase for the generation of novel natural products - GtfAH1 in complex with UDP-2F-Glc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-06 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.977 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 111.107, 129.693, 67.087 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.800 - 1.150 |
| R-factor | 0.17038 |
| Rwork | 0.170 |
| R-free | 0.18191 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pn3 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.460 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.800 | 1.210 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.077 | 0.647 |
| Total number of observations | 1154832 | 23415 |
| Number of reflections | 169485 | |
| Completeness [%] | 99.2 | 94.7 |
| Redundancy | 6.8 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 300 | Tris HCl pH 8.5, 1.2-2M ammonium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
