3N5G
Crystal Structure of histidine-tagged human thymidylate synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-20 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 96.070, 96.070, 83.200 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.600 - 2.270 |
| R-factor | 0.16808 |
| Rwork | 0.166 |
| R-free | 0.20149 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ypv |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.899 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.600 | 2.390 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Rmerge | 0.070 | 0.351 |
| Number of reflections | 20905 | |
| <I/σ(I)> | 26 | 7.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.8 | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 293 | 30% saturated Ammonium Sulfate + 20mM BME + 0.1M TRIS pH8.3, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |
