5M3S
Low-dose fixed target serial synchrotron crystallography structure of Metmyoglobin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 294 |
| Detector technology | PIXEL |
| Collection date | 2016-06-30 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 6 |
| Unit cell lengths | 91.436, 91.436, 45.957 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.748 - 1.800 |
| R-factor | 0.1834 |
| Rwork | 0.180 |
| R-free | 0.22490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a6m |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.858 |
| Data reduction software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11rc1_2513: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.760 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.761 | 0.958 |
| Number of reflections | 24300 | |
| <I/σ(I)> | 1.65 | 0.23 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 75.2 | 56.43 |
| CC(1/2) | 0.978 | 0.589 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SMALL TUBES | 294 | Tris, HCl, ammonium sulfate |
