1A8S
CHLOROPEROXIDASE F/PROPIONATE COMPLEX
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 90 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-10 |
| Detector | MARRESEARCH |
| Spacegroup name | P 2 3 |
| Unit cell lengths | 106.470, 106.470, 106.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 70.000 - 1.800 |
| R-factor | 0.173 |
| Rwork | 0.176 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | REFINED COORDINATES OF CHLOROPEROXIDASE L |
| RMSD bond length | 0.017 |
| RMSD bond angle | 0.031 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.500 | 1.880 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.069 | 0.197 |
| Number of reflections | 33363 | |
| <I/σ(I)> | 13.1 | 4.9 |
| Completeness [%] | 88.9 | 80.7 |
| Redundancy | 2 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 6.6 | 25 * | 1.0 M AMMONIUM SULFATE 50MM CITRATE/PHOSPHATE BUFFER PH 6.6 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | citrate-phosphate | 50 (mM) | |
| 2 | 1 | reservoir | sodium propionate | 100 (mM) |
