6H5Z
Ferric murine neuroglobin F106A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-12 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 87.733, 87.733, 113.625 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.540 - 1.800 |
| R-factor | 0.15507 |
| Rwork | 0.152 |
| R-free | 0.20918 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q1f |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.970 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 15824 | |
| <I/σ(I)> | 33.6 | |
| Completeness [%] | 99.9 | |
| Redundancy | 10.4 | |
| CC(1/2) | 1.000 | 0.872 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.6 M ammonium sulfate, 0.1 M MES pH 6.5, 10% 1,4-dioxane |
