1SDQ
Structure of reduced-NO adduct of mesopone cytochrome c peroxidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 116 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-12-13 |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 106.884, 75.625, 50.958 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.690 |
| Rwork | 0.193 |
| R-free | 0.21540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s73 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.564 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.720 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.098 | 0.356 |
| Number of reflections | 47110 | |
| <I/σ(I)> | 42.79 | 3.85 |
| Completeness [%] | 93.2 | 62.6 |
| Redundancy | 24.27 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 2-methyl-2,4-pentanediol (MPD), 50mM tris-phosphate, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
