3DAU
Crystal structure of the ternary MTX NADPH complex of Escherichia coli dihydrofolate reductase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.90000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 61.847, 61.847, 104.740 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.880 - 1.500 |
| R-factor | 0.16 |
| Rwork | 0.159 |
| R-free | 0.18600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rh3 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.219 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.400 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.059 | 0.921 |
| Number of reflections | 50833 | |
| <I/σ(I)> | 16.7 | 1.24 |
| Completeness [%] | 98.6 | 98.4 |
| Redundancy | 5.5 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% w/v PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
