2RK1
DHFR R67 Complexed with NADP and dihydrofolate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-17 |
| Detector | RIGAKU SATURN 92 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 67.804, 67.804, 52.201 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.220 - 1.260 |
| R-factor | 0.12419 |
| Rwork | 0.123 |
| R-free | 0.15231 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rh2 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.121 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.290 |
| High resolution limit [Å] | 1.260 | 1.260 |
| Rmerge | 0.072 | 0.499 |
| Number of reflections | 15838 | |
| <I/σ(I)> | 14.1 | 3 |
| Completeness [%] | 99.6 | 96.5 |
| Redundancy | 12.4 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 277 | 50% 2-methyl-2,4-pentanediol (MPD), 100 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 8.00 |
