1BUG
CATECHOL OXIDASE FROM IPOMOEA BATATAS (SWEET POTATOES)-INHIBITOR COMPLEX WITH PHENYLTHIOUREA (PTU)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 291 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-04-15 |
| Detector | MACSCIENCE |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.820, 164.750, 52.160 |
| Unit cell angles | 90.00, 97.50, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.700 |
| R-factor | 0.181 |
| Rwork | 0.181 |
| R-free | 0.27300 |
| Structure solution method | MIR |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.980 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.099 * | 0.167 * |
| Total number of observations | 53694 * | |
| Number of reflections | 19405 | |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 95.0 | 88.9 |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 4 * | CRYSTALS WERE GROWN AT 277K FROM SOLUTIONS CONTAINING 14 MG/ML PROTEIN, 120 MG/ML PEG6000, 500 MM NACL, 50 MM HEPES, PH 7.0 EQUILIBRATED AGAINST A SOLUTION CONTAINING 200 MG/ML PEG6000., VAPOR DIFFUSION, HANGING DROP |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 14 (mg/ml) | |
| 2 | 1 | drop | PEG6000 | 120 (mg/ml) | |
| 3 | 1 | drop | 500 (mM) | ||
| 4 | 1 | drop | HEPES | 50 (mM) | |
| 5 | 1 | reservoir | PEG6000 | 200 (mg/ml) |
