1A8U
CHLOROPEROXIDASE T/BENZOATE 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 | 1997-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 124.870, 124.870, 124.870 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 90.000 - 1.600 |
| R-factor | 0.149 |
| Rwork | 0.152 |
| R-free | 0.17100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a7u |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.026 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.000 | 1.670 |
| High resolution limit [Å] | 1.750 | 1.600 |
| Rmerge | 0.076 | 0.180 |
| Number of reflections | 84499 | |
| <I/σ(I)> | 20 | 9 |
| Completeness [%] | 98.9 | 97.9 |
| Redundancy | 4.7 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.8 | 25 * | 1.8 M AMMONIUM SULFATE PH 7.8., SMALL AMOUNTS OF SOLID SODIUM BENZOATE |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 1.8 (M) | |
| 2 | 1 | reservoir | Tris-HCl | 50 (mM) | |
| 3 | 1 | reservoir | sodium benzoate | ||
| 4 | 1 | reservoir | potassium bromide | 10 (mM) |
