5O17
Crystal structure of murine neuroglobin under 100 bar krypton
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2016-07-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.8556 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 88.010, 88.010, 113.490 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.1749 |
| Rwork | 0.172 |
| R-free | 0.21990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q1f |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.811 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | REFMAC (5.8.0135) |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.516 | 45.516 | 1.900 |
| High resolution limit [Å] | 1.800 | 5.700 | 1.800 |
| Rmerge | 0.051 | 0.401 | |
| Rmeas | 0.071 | 0.057 | 0.444 |
| Rpim | 0.029 | 0.024 | 0.185 |
| Number of reflections | 15227 | ||
| <I/σ(I)> | 19 | 5.6 | 1.9 |
| Completeness [%] | 96.6 | 91.9 | 97.9 |
| Redundancy | 5.7 | 5.4 | 5.5 |
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, 10 % dioxane |
