9GOF
MncA bound to nickel
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 | 2024-03-11 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 235.185, 235.185, 132.008 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 80.630 - 1.600 |
| R-factor | 0.1642 |
| Rwork | 0.164 |
| R-free | 0.17660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.867 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.630 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmeas | 0.267 | 4.580 |
| Rpim | 0.020 | 0.440 |
| Number of reflections | 280693 | 15191 |
| <I/σ(I)> | 16.4 | 0.54 |
| Completeness [%] | 99.9 | 98.4 |
| Redundancy | 158 | 100 |
| CC(1/2) | 1.000 | 0.630 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | 10% PEG 8000, 0.1 M sodium acetate pH 4.0 |
