6TB8
Dye Type Peroxidase Aa from Streptomyces lividans: spectroscopically-validated ferric state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-28 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.80 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.400, 67.590, 72.900 |
| Unit cell angles | 90.00, 105.47, 90.00 |
Refinement procedure
| Resolution | 43.679 - 1.800 |
| R-factor | 0.1537 |
| Rwork | 0.151 |
| R-free | 0.19910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6i43 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.16) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.710 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.176 | 0.570 |
| Rmeas | 0.198 | 0.682 |
| Rpim | 0.089 | 0.365 |
| Number of reflections | 61725 | 3542 |
| <I/σ(I)> | 6.3 | 1.6 |
| Completeness [%] | 99.4 | 96.1 |
| Redundancy | 4.5 | 2.9 |
| CC(1/2) | 0.989 | 0.683 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7 | 291 | 1:1 RATIO OF A 6.5 MG/ML DTPAA PROTEIN SOLUTION WITH A PRECIPITANT SOLUTION CONTAINING 20% PEG 6000, 100 MM HEPES PH 7.0, BATCH MODE, TEMPERATURE 291K |
