1U17
1.7 A Crystal structure of H60C mutant of Nitrophorin I. Heme complexed with two molecules imidazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-02-24 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.006, 73.987, 65.224 |
| Unit cell angles | 90.00, 99.16, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.700 |
| R-factor | 0.18469 |
| Rwork | 0.182 |
| R-free | 0.23713 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2np1 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.962 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 40082 | |
| <I/σ(I)> | 8.1 | 1 |
| Completeness [%] | 99.5 | 98.5 |
| Redundancy | 3.9 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1 M potassium cacodylate pH 5.3, 2.9 M di-ammoium hydrogen phospate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
