3IHI
Crystal structure of mouse thymidylate synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-08 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.038 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 158.202, 87.962, 68.043 |
| Unit cell angles | 90.00, 97.43, 90.00 |
Refinement procedure
| Resolution | 19.480 - 1.940 |
| R-factor | 0.221 |
| Rwork | 0.220 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rts |
| RMSD bond length | 0.026 |
| RMSD bond angle | 1.953 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.970 |
| High resolution limit [Å] | 1.940 | 5.240 | 1.940 |
| Rmerge | 0.053 | 0.037 | 0.617 |
| Number of reflections | 69498 | ||
| <I/σ(I)> | 15 | ||
| Completeness [%] | 98.9 | 91.6 | 98.7 |
| Redundancy | 3.6 | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 278 | Tris-HCl pH 8.5, PEG 4000, Li2SO4, VAPOR DIFFUSION, temperature 278K |
