6RAR
Pmar-Lig_PreS3-Mn
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-25 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.991872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.304, 103.315, 68.543 |
| Unit cell angles | 90.00, 90.79, 90.00 |
Refinement procedure
| Resolution | 24.291 - 1.785 |
| R-factor | 0.2341 |
| Rwork | 0.233 |
| R-free | 0.26390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rau |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.180 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.000 | 1.980 |
| High resolution limit [Å] | 1.785 | 1.785 |
| Rmerge | 0.096 | 0.560 |
| Rpim | 0.084 | 0.425 |
| Number of reflections | 57936 | 2897 |
| <I/σ(I)> | 3.1 | 2.4 |
| Completeness [%] | 88.6 | 59.7 |
| Redundancy | 3.1 | |
| CC(1/2) | 0.993 | 0.604 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 17-18% PEG 8K, 100 mM ammonium sulfate, 100 mM Bis-Tris pH 5.5. |
