6IBN
Dye type peroxidase Aa from Streptomyces lividans: 32.8 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 | 2017-06-28 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.066, 68.387, 75.059 |
| Unit cell angles | 90.00, 105.82, 90.00 |
Refinement procedure
| Resolution | 37.389 - 2.180 |
| R-factor | 0.182 |
| Rwork | 0.178 |
| R-free | 0.25550 |
| 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] | 44.710 | 2.220 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.734 | 0.853 |
| Number of reflections | 37330 | |
| <I/σ(I)> | 1.89 | 0.53 |
| Completeness [%] | 100.0 | 99.5 |
| Redundancy | 41.4 | 11.8 |
| CC(1/2) | 0.969 | 0.539 |
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) |
