1KRJ
Engineering Calcium-binding site into Cytochrome c Peroxidase (CcP)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-10-29 |
| Detector | RIGAKU |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 107.034, 75.458, 51.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.000 |
| R-factor | 0.192 * |
| Rwork | 0.192 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Potassium-binding CcP (CcPK2) |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.320 |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.020 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.082 | 0.420 |
| Total number of observations | 155672 * | |
| Number of reflections | 28701 * | |
| <I/σ(I)> | 19.2082 | 3.3023 |
| Completeness [%] | 99.8 * | 99 * |
| Redundancy | 10.8627 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6 | 277 | 2-Methyl-2,4-Pentanediol (MPD), potassium phosphate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Trizma | 100 (mM) | Tris base |
| 2 | 1 | drop | acetic acid | 50 (mM) | |
| 3 | 1 | drop | MES | 50 (mM) | pH6.0 |
| 4 | 1 | reservoir | MPD | 30 (%) | |
| 5 | 1 | reservoir | 2 (mM) |
