2NUL
PEPTIDYLPROLYL ISOMERASE FROM E. COLI
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 291 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-06 |
| Detector | RIGAKU |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 44.700, 68.200, 102.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 2.100 |
| R-factor | 0.16 |
| Rwork | 0.160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1LOP (COORDS RECEIVED FROM AUTHORS IN ADVANCE OF DEPOSITION) |
| RMSD bond length | 0.020 |
| RMSD bond angle | 26.172 * |
| Data reduction software | RIGAKU |
| Data scaling software | RIGAKU |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 2.500 | |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.057 | |
| Total number of observations | 31874 * | |
| Number of reflections | 9966 | |
| Completeness [%] | 91.3 | 91.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 * | 18 * | CRYSTALLIZED FROM 100 MM TRIS PH 8.5, 0.2 M SODIUM ACETATE, 30% PEG 3.4K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 14 (mg/ml) | |
| 2 | 1 | drop | imidazole | 50 (mM) | |
| 3 | 1 | drop | EDTA | 1 (mM) | |
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | reservoir | Tris | 100 (mM) | |
| 6 | 1 | reservoir | sodium acetate | 0.2 (M) | |
| 7 | 1 | reservoir | PEG3400 | 30 (%(w/v)) |
