6XV4
Neutron structure of ferric ascorbate peroxidase-ascorbate complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | NUCLEAR REACTOR |
| Source details | FRM II BEAMLINE BIODIFF |
| Synchrotron site | FRM II |
| Beamline | BIODIFF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2017-02-01 |
| Detector | BIODIFF |
| Wavelength(s) | 3.4 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 81.862, 81.862, 74.969 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.930 - 2.090 |
| R-factor | 0.2187 |
| Rwork | 0.210 |
| R-free | 0.29830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jpr |
| Data reduction software | Aimless |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.200 | 2.160 | 1.940 |
| High resolution limit [Å] | 2.100 | 2.100 | 1.900 |
| Rmerge | 0.200 | 0.400 | 0.600 |
| Number of reflections | 14368 | 1034 | 1369 |
| <I/σ(I)> | 3.9 | ||
| Completeness [%] | 91.1 | ||
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 300 | Lithium sulfate HEPES | |
| 1 | VAPOR DIFFUSION, HANGING DROP | 300 | Lithium sulfate HEPES |
