1AUG
CRYSTAL STRUCTURE OF THE PYROGLUTAMYL PEPTIDASE I FROM BACILLUS AMYLOLIQUEFACIENS
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 300 |
| Detector technology | AREA DETECTOR |
| Collection date | 1996-02 |
| Detector | XUONG-HAMLIN MULTIWIRE |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.712, 80.800, 69.157 |
| Unit cell angles | 90.00, 92.75, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.216 * |
| Rwork | 0.197 |
| R-free | 0.26000 * |
| Structure solution method | SIRAS |
| RMSD bond length | 0.011 * |
| RMSD bond angle | 2.210 * |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.020 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.060 * | |
| Number of reflections | 50037 | |
| <I/σ(I)> | 19.82 | 4.09 |
| Completeness [%] | 84.4 * | 15.1 |
| Redundancy | 2.3 * | 1.13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | pH 6.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7 (mg/ml) | |
| 2 | 1 | reservoir | sodium cacodylate/KH2PO4 | 0.05 (M) | |
| 3 | 1 | reservoir | magnesium acetate | 0.1 (M) | |
| 4 | 1 | reservoir | PEG4000 | 10 (%(w/v)) |
