6I8K
Dye type peroxidase Aa from Streptomyces lividans: 164 kGy structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2017-01-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.008, 68.281, 74.917 |
Unit cell angles | 90.00, 105.79, 90.00 |
Refinement procedure
Resolution | 44.630 - 1.980 |
R-factor | 0.1744 |
Rwork | 0.172 |
R-free | 0.23220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6i43 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.881 |
Data reduction software | DIALS |
Data scaling software | cctbx.prime |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.640 | 2.010 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.705 | 0.774 |
Number of reflections | 49513 | |
<I/σ(I)> | 2.16 | 0.66 |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 35.5 | 9.4 |
CC(1/2) | 0.969 | 0.602 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 8 | 293 | 7 mg/ml protein mixed with 17% PEG 1500 and 67 mM MIB buffer (comprising imidazole, malonate and boric acid) |