2X9G
High resolution structure of TbPTR1 in complex with Pemetrexed
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-16 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.720, 90.570, 82.580 |
| Unit cell angles | 90.00, 115.61, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.100 |
| R-factor | 0.1206 |
| R-free | 0.14680 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.031 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.800 | 1.200 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.050 | 0.290 |
| Number of reflections | 396089 | |
| <I/σ(I)> | 15.6 | 4.4 |
| Completeness [%] | 98.7 | 96.7 |
| Redundancy | 4.3 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | RESERVOIR CONDITIONS: 100 MM SODIUM CITRATE PH 5, 1.8 M SODIUM ACETATE |
