6I8Q
Dye type peroxidase Aa from Streptomyces lividans: 117.6 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 | 73.032, 68.364, 74.943 |
Unit cell angles | 90.00, 105.72, 90.00 |
Refinement procedure
Resolution | 37.389 - 1.740 |
R-factor | 0.1794 |
Rwork | 0.178 |
R-free | 0.23040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6i43 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.845 |
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] | 44.700 | 1.770 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmerge | 0.907 | 0.883 |
Number of reflections | 72957 | |
<I/σ(I)> | 2.52 | 0.58 |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 48.9 | 11.9 |
CC(1/2) | 0.951 | 0.510 |
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) |