1U18
1.96 A Crystal structure of H60C mutant of nitrophorin complexed with histamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-02-24 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.820, 73.850, 65.380 |
| Unit cell angles | 90.00, 98.57, 90.00 |
Refinement procedure
| Resolution | 27.000 - 1.960 |
| R-factor | 0.18703 |
| Rwork | 0.185 |
| R-free | 0.22562 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2np1 |
| RMSD bond length | 0.032 |
| RMSD bond angle | 1.997 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.000 | 2.060 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.038 | |
| Number of reflections | 22695 | |
| <I/σ(I)> | 11.2 | 3.4 |
| Completeness [%] | 92.0 | 70.4 |
| Redundancy | 2.1 | 1.08 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1 M potassium cacodylate, 2.9 M di-ammonium hydrogen phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
