4GH8
Crystal structure of a 'humanized' E. coli dihydrofolate reductase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-24 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.245, 63.773, 62.439 |
| Unit cell angles | 90.00, 106.82, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.850 |
| R-factor | 0.2048 |
| Rwork | 0.203 |
| R-free | 0.24520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.816 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 5.020 | 1.850 |
| Rmerge | 0.078 | 0.051 | 0.327 |
| Number of reflections | 31876 | ||
| <I/σ(I)> | 8.9 | ||
| Completeness [%] | 95.2 | 96.4 | 80.5 |
| Redundancy | 2.6 | 2.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 200 mM Calcium Acetate 38% Peg 400, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
