2GQV
High-resolution structure of a plasmid-encoded dihydrofolate reductase: pentagonal network of water molecules in the D2-symmetric active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-03-15 |
| Detector | ADSC QUANTUM 1 |
| Wavelength(s) | 0.9495 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 68.050, 68.050, 52.244 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.100 |
| R-factor | 0.105 |
| Rwork | 0.099 |
| R-free | 0.15300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vie |
| RMSD bond length | 0.023 |
| RMSD bond angle | 0.035 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.140 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Number of reflections | 19914 | |
| <I/σ(I)> | 21.4 | |
| Completeness [%] | 90.0 | 58 |
| Redundancy | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1M Tris-Hcl buffer, 25% MPD, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
