5AG1
DyP-type peroxidase of Auricularia auricula-judae (AauDyPI) with meso- nitrated heme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-28 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.000, 46.780, 148.150 |
| Unit cell angles | 90.00, 100.53, 90.00 |
Refinement procedure
| Resolution | 44.570 - 1.850 |
| R-factor | 0.17655 |
| Rwork | 0.175 |
| R-free | 0.21547 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4au9 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.674 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.570 | 1.960 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.100 | 0.510 |
| Number of reflections | 75411 | |
| <I/σ(I)> | 10.11 | 2.1 |
| Completeness [%] | 98.2 | 91.4 |
| Redundancy | 3.2 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.17 M SODIUM ACETATE TRIHYDRATE, 0.085 M SODIUM CACODYLATE PH 6.5, 25% (W/V) PEG 8000, 15% (V/V) GLYCEROL |
