3QLZ
Candida glabrata dihydrofolate reductase complexed with NADPH and 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propylpyrimidine-2,4-diamine (UCP130B)
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 | 2009-01-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.100 |
| Spacegroup name | P 41 |
| Unit cell lengths | 42.607, 42.607, 230.236 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.780 - 1.940 |
| R-factor | 0.2083 |
| Rwork | 0.206 |
| R-free | 0.24460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cse |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.970 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.010 |
| High resolution limit [Å] | 1.940 | 4.180 | 1.940 |
| Rmerge | 0.110 | 0.046 | 0.319 |
| Number of reflections | 27675 | ||
| <I/σ(I)> | 11.6 | ||
| Completeness [%] | 91.5 | 67.7 | 94.1 |
| Redundancy | 4.1 | 3.5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | PEG 4000, MgCl2, Tris, pH 8.5, vapor diffusion, hanging drop, temperature 277K |
