9R43
FAD-dependent oxidoreductase McrA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-10-30 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.96546 |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 77.872, 80.490, 163.811 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.340 - 2.100 |
| R-factor | 0.20468 |
| Rwork | 0.202 |
| R-free | 0.24673 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.830 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.340 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.113 | 0.899 |
| Rmeas | 0.127 | 1.002 |
| Rpim | 0.056 | 0.432 |
| Total number of observations | 22436 | |
| Number of reflections | 59607 | 4643 |
| <I/σ(I)> | 6.5 | 1.2 |
| Completeness [%] | 98.4 | |
| Redundancy | 4.9 | 4.8 |
| CC(1/2) | 0.973 | 0.673 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M calcium acetate, 0.1 M HEPES pH 7.5 and 40% (v/v) PEG 400 |
