3EHI
Crystal Structure of Human Thymidyalte Synthase M190K with Loop 181-197 stabilized in the inactive conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.003 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 96.053, 96.053, 80.064 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.590 - 2.000 |
| R-factor | 0.2 |
| Rwork | 0.198 |
| R-free | 0.23800 |
| Starting model (for MR) | 2ypv |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.915 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.047 | 0.034 | 0.459 |
| Number of reflections | 26021 | ||
| <I/σ(I)> | 59.707 | ||
| Completeness [%] | 88.4 | 99.6 | 40.8 |
| Redundancy | 11.7 | 16.1 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 2.0M AS, 0.1M Tris pH 8.5, 20mM BME, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
