1BT2
CATECHOL OXIDASE FROM IPOMOEA BATATAS (SWEET POTATOES) IN THE REDUCED CU(I)-CU(I) STATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-08-15 |
| Detector | MACSCIENCE |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.250, 162.600, 51.490 |
| Unit cell angles | 90.00, 95.30, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.700 |
| R-factor | 0.184 |
| Rwork | 0.184 |
| R-free | 0.27800 |
| Structure solution method | MIR |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.040 |
| 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 | 0.055 * | 0.106 * |
| Total number of observations | 50613 * | |
| Number of reflections | 18524 | |
| <I/σ(I)> | 14.3 | |
| Completeness [%] | 91.4 | 90.4 |
| Redundancy | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 4 * | CRYSTALS WERE GROWN AT 277 K 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. 2 MM DTT WAS USED TO REDUCE THE ACTIVE SITE., 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) |
