7ZOE
IPNS H270E variant 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 | 2022-04-14 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.410, 74.732, 101.371 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.150 - 1.500 |
R-factor | 0.158 |
Rwork | 0.157 |
R-free | 0.18670 |
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] | 60.150 | 60.200 | 1.530 |
High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
Rmeas | 0.171 | 0.053 | 1.571 |
Rpim | 0.046 | 0.015 | 0.419 |
Total number of observations | 687457 | 34766 | 34814 |
Number of reflections | 51282 | 2792 | 2540 |
<I/σ(I)> | 10.8 | 45.4 | 1.2 |
Completeness [%] | 100.0 | 100 | 99.9 |
Redundancy | 13.4 | 12.5 | 13.7 |
CC(1/2) | 0.998 | 0.660 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 8 | 298 | 1.7 M Li2SO4, 0.1 M Tris pH 8.0 |