6G5B
Heme-carbene complex in myoglobin H64V/V68A containing an N-methylhistidine as the proximal ligand, 1.6 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.873, 47.981, 77.426 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.785 - 1.600 |
| R-factor | 0.1779 |
| Rwork | 0.174 |
| R-free | 0.21540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6f17 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.025 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.067 | 0.747 |
| Number of reflections | 20198 | 955 |
| <I/σ(I)> | 13.5 | |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 6.4 | 6.5 |
| CC(1/2) | 0.998 | 0.749 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M SPG buffer at pH6.8-7.2 containing 28-32% (w/v) PEG1500 |
