2X9V
High resolution structure of TbPTR1 with trimetrexate
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 QUANTUM 210 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.560, 90.710, 82.460 |
| Unit cell angles | 90.00, 115.69, 90.00 |
Refinement procedure
| Resolution | 31.050 - 1.300 |
| R-factor | 0.12259 |
| Rwork | 0.121 |
| R-free | 0.14784 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.405 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.050 | 1.370 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.090 | 0.400 |
| Number of reflections | 239044 | |
| <I/σ(I)> | 15.9 | 4.6 |
| Completeness [%] | 98.8 | 98.6 |
| Redundancy | 5.6 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | PROTEIN BUFFER CONTAINED 20MM TRIS PH7.5. RESERVOIR CONTAINED 2.5M SODIUM ACETATE, 50MM SODIUM CITRATE PH4.5. |
