2AAZ
Cryptococcus neoformans thymidylate synthase complexed with substrate and an antifolate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 103 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-05-19 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 179.400, 179.500, 209.100 |
| Unit cell angles | 90.00, 89.80, 90.00 |
Refinement procedure
| Resolution | 49.910 - 2.080 |
| R-factor | 0.29 |
| Rwork | 0.290 |
| R-free | 0.30500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.140 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.100 | 0.344 |
| Number of reflections | 389001 | |
| <I/σ(I)> | 7.4 | 1.7 |
| Completeness [%] | 97.0 | 97.9 |
| Redundancy | 1.85 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 293 | 0.107 mM protein, dUMP,CB3, DTT, PEG4000/PEG6000, Tris, Na acetate/K acetate, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
