6Q3E
Dye type peroxidase Aa from Streptomyces lividans: 274.4 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 | 2018-06-28 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.068, 68.384, 75.097 |
Unit cell angles | 90.00, 105.85, 90.00 |
Refinement procedure
Resolution | 37.386 - 2.030 |
R-factor | 0.1846 |
Rwork | 0.182 |
R-free | 0.24910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6i43 |
Data reduction software | DIALS |
Data scaling software | cctbx.prime |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.700 | 2.070 |
High resolution limit [Å] | 2.030 | 2.030 |
Rmerge | 0.765 | 0.859 |
Number of reflections | 46140 | |
<I/σ(I)> | 2.02 | 0.5 |
Completeness [%] | 100.0 | 99.6 |
Redundancy | 44.5 | 11.4 |
CC(1/2) | 0.969 | 0.506 |
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) |