8P48
IPNS variant N252D 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 | 41.230, 74.830, 101.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.580 - 1.630 |
R-factor | 0.181 |
Rwork | 0.180 |
R-free | 0.20370 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.656 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.580 | 1.670 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.218 | 3.233 |
Rmeas | 0.226 | 3.359 |
Rpim | 0.061 | 0.902 |
Number of reflections | 39910 | 2869 |
<I/σ(I)> | 9.2 | 0.9 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 13.4 | 13.3 |
CC(1/2) | 0.998 | 0.545 |
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 |