5UII
structure of DHFR with bound buformin 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 | 2016-11-22 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 73.395, 58.724, 38.595 |
| Unit cell angles | 90.00, 107.54, 90.00 |
Refinement procedure
| Resolution | 22.952 - 1.351 |
| R-factor | 0.1597 |
| Rwork | 0.159 |
| R-free | 0.17420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5uih |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.806 |
| 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 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Number of reflections | 33675 | |
| <I/σ(I)> | 41.8 | |
| Completeness [%] | 98.5 | 83.8 |
| Redundancy | 5.2 | 1.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 293 | 10mM buformin,2mM NADP,50mM Bis-Tris propane,60mM MgCl2,20% PEG 400 |
