5UIH
structure of DHFR with bound phenformin and NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-08-25 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.605, 58.872, 40.145 |
| Unit cell angles | 90.00, 107.45, 90.00 |
Refinement procedure
| Resolution | 23.339 - 1.647 |
| R-factor | 0.1795 |
| Rwork | 0.178 |
| R-free | 0.21610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rc4 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.268 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 20763 | |
| <I/σ(I)> | 14.6 | 2.1 |
| Completeness [%] | 99.7 | 97.8 |
| Redundancy | 5.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 5mM phenformin, 1.15mM NADP,10mM trisodium citrate, 33% PEG 6K |
