1IOF
X-RAY CRYSTALLINE STRUCTURES OF PYRROLIDONE CARBOXYL PEPTIDASE FROM A HYPERTHERMOPHILE, PYROCOCCUS FURIOSUS, AND ITS CYS-FREE MUTANT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-05-05 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.900, 105.000, 78.500 |
| Unit cell angles | 90.00, 90.70, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.200 |
| Rwork | 0.195 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aug |
| RMSD bond length | 0.017 * |
| RMSD bond angle | 3.090 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 200.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.101 | 0.316 |
| Number of reflections | 169460 | |
| <I/σ(I)> | 5.8 | 2.5 |
| Completeness [%] | 91.5 | 69.9 |
| Redundancy | 3.9 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 25 * | PEG 4000, sodium acetate, EDTA, DTE, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | Na-acetate | 80 (mM) | |
| 3 | 1 | drop | EDTA | 4 (mM) | |
| 4 | 1 | drop | DTE | 4 (mM) | |
| 5 | 1 | reservoir | Na-acetate | 0.5 (M) | |
| 6 | 1 | reservoir | EDTA | 4 (mM) | |
| 7 | 1 | reservoir | DTE | 4 (mM) | |
| 8 | 1 | reservoir | %(w/v) |
