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 |