8BSY
IPNS H270D variant in complex with Fe and ACV after 30s O2 exposure
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 | 2022-09-13 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97628 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.358, 74.432, 101.244 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.860 - 1.400 |
R-factor | 0.1698 |
Rwork | 0.169 |
R-free | 0.19610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6zae |
RMSD bond length | 0.008 |
RMSD bond angle | 0.969 |
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] | 50.620 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.178 | 2.066 |
Rmeas | 0.185 | 2.146 |
Rpim | 0.050 | 0.575 |
Total number of observations | 827970 | |
Number of reflections | 62488 | 3170 |
<I/σ(I)> | 7.7 | 1.2 |
Completeness [%] | 100.0 | |
Redundancy | 13.3 | 13.5 |
CC(1/2) | 0.995 | 0.650 |
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 |