3CSE
Candida glabrata Dihydrofolate Reductase complexed with NADPH and 2,4-diamino-5-(3-(2,5-dimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120B)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-26 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 41 |
| Unit cell lengths | 42.690, 42.690, 230.404 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.030 - 1.600 |
| R-factor | 0.18343 |
| Rwork | 0.181 |
| R-free | 0.23171 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.035 |
| RMSD bond angle | 2.965 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
| Rmerge | 0.068 | 0.043 | 0.386 |
| Number of reflections | 50325 | ||
| <I/σ(I)> | 12 | ||
| Completeness [%] | 93.2 | 74.8 | 92.7 |
| Redundancy | 4.7 | 4.5 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 30 % PEG 4000, 0.2 M MgCl2, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
