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 |