1SEJ
Crystal Structure of Dihydrofolate Reductase-Thymidylate Synthase from Cryptosporidium hominis Bound to 1843U89/NADPH/dUMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-07-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 214.900, 116.300, 219.700 |
| Unit cell angles | 90.00, 95.23, 90.00 |
Refinement procedure
| Resolution | 45.150 - 2.870 |
| R-factor | 0.22 |
| Rwork | 0.220 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qzf |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.600 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.980 |
| High resolution limit [Å] | 2.870 | 2.870 |
| Rmerge | 0.105 | 0.386 |
| Number of reflections | 111987 | |
| <I/σ(I)> | 8.6 | 1.9 |
| Completeness [%] | 81.0 | 90 |
| Redundancy | 4.5 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 298 | PEG 6000, lithium sulfate, ammonium sulfate, Tris, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
