5L86
engineered ascorbate peroxidise
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-13 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.460, 81.950, 69.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.810 - 1.900 |
| R-factor | 0.1819 |
| Rwork | 0.179 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1v0h |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.818 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 60.000 | 1.950 | |
| High resolution limit [Å] | 1.900 | 6.000 | 1.900 |
| Rmerge | 0.353 | 0.084 | 3.688 |
| Number of reflections | 73768 | ||
| <I/σ(I)> | 4.73 | 18.26 | 0.56 |
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 7.1 | ||
| CC(1/2) | 0.986 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM bis-tris, pH 5.5, 2.0 M ammonium sulfate |
