8BSW
IPNS H270Q variant in complex with Fe and ACV under anaerobic conditions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-10-19 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9227 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.996, 74.135, 100.988 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.730 - 1.580 |
R-factor | 0.2097 |
Rwork | 0.209 |
R-free | 0.22910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6zae |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.780 | 41.800 | 1.610 |
High resolution limit [Å] | 1.580 | 4.290 | 1.580 |
Rmeas | 0.244 | 0.058 | 3.413 |
Rpim | 0.066 | 0.016 | 0.930 |
Number of reflections | 43137 | 2364 | 2071 |
<I/σ(I)> | 7.5 | 41.3 | 0.5 |
Completeness [%] | 100.0 | 100 | 98.7 |
Redundancy | 13.4 | 13.1 | 13.3 |
CC(1/2) | 0.998 | 0.487 |
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 |