3G4A
Crystal structure of flavine dependant thymidylate synthase S88A mutant from Thermotoga maritima at 1.95 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-01 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.952, 116.222, 140.728 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 89.400 - 1.950 |
| R-factor | 0.18746 |
| Rwork | 0.186 |
| R-free | 0.22173 |
| Structure solution method | DIFFERENCE FOURIER |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.588 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.400 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 65136 | |
| <I/σ(I)> | 13.2 | 1.5 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 4.4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 42% PEG 200, 0.1M Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
