6R1Q
murine Neuroglobin under 2 kBar of argon
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.771 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 87.951, 87.951, 112.923 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.010 - 1.950 |
| R-factor | 0.19674 |
| Rwork | 0.194 |
| R-free | 0.25850 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4o4t |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.990 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | FFT |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.350 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.076 | 0.561 |
| Rpim | 0.019 | 0.206 |
| Number of reflections | 15605 | 2089 |
| <I/σ(I)> | 21.7 | 2.9 |
| Completeness [%] | 98.8 | 92.2 |
| Redundancy | 16.3 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 291 | 1.6M AMMONIUM SULPHATE, 0.1M MES, PH 6.5, 10 % DIOXANE |
