4M6J
Crystal structure of human dihydrofolate reductase (DHFR) bound to NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-05 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 38.958, 65.525, 152.251 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.486 - 1.201 |
| R-factor | 0.1639 |
| Rwork | 0.163 |
| R-free | 0.18450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dls |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.480 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.230 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Number of reflections | 59318 | |
| <I/σ(I)> | 14 | 2 |
| Completeness [%] | 96.8 | 76.9 |
| Redundancy | 6.5 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 277 | 24% PEG6000, 100 mM Tris, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
