8P47
IPNS variant N252A in complex with Fe and ACV under anaerobic conditions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-03-09 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.675, 74.730, 101.459 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.730 - 1.560 |
R-factor | 0.1826 |
Rwork | 0.181 |
R-free | 0.20940 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.624 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.730 | 1.590 |
High resolution limit [Å] | 1.560 | 1.560 |
Rmeas | 0.219 | 2.554 |
Number of reflections | 45988 | 2254 |
<I/σ(I)> | 8.2 | 0.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.5 | 13.9 |
CC(1/2) | 0.997 | 0.536 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 8.3 | 298 | 1.7 M Li2SO4, 0.1 M Tris pH 8.3 |