3N0H
hDHFR double mutant Q35S/N64F Trimethoprim Binary Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-07-24 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54118 |
| Spacegroup name | H 3 |
| Unit cell lengths | 84.016, 84.016, 78.495 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.500 - 1.920 |
| R-factor | 0.20044 |
| Rwork | 0.198 |
| R-free | 0.25104 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1u72 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.116 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.540 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.080 | |
| Number of reflections | 15381 | |
| <I/σ(I)> | 12.6 | |
| Completeness [%] | 98.1 | 97.4 |
| Redundancy | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 298 | 100 mM K2HPO4, 60% AmSulfate, 3% ETOH, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
