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 |