3EGY
Crystal Structure of Human Thymidyalte Synthase A191K with Loop 181-197 stabilized in the inactive conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-02-12 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 95.869, 95.869, 82.814 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.180 |
| R-factor | 0.183 |
| Rwork | 0.182 |
| R-free | 0.20700 |
| Starting model (for MR) | 1hw3 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.829 |
| 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 | 2.260 |
| High resolution limit [Å] | 2.180 | 4.700 | 2.180 |
| Rmerge | 0.056 | 0.025 | 0.444 |
| Rmeas | 0.056 | ||
| Total number of observations | 125473 | ||
| Number of reflections | 21473 | ||
| <I/σ(I)> | 9 | ||
| Completeness [%] | 92.2 | 85.9 | 95 |
| Redundancy | 5.8 | 5.8 | 5.7 |
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 |
