6H6I
Ferric murine neuroglobin Gly-loop mutant
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 | 2017-03-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 74.788, 74.788, 77.130 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.600 - 1.600 |
| R-factor | 0.13882 |
| Rwork | 0.137 |
| R-free | 0.17809 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q1f |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.089 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.600 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.750 | |
| Rmeas | 0.063 | |
| Number of reflections | 33478 | 5169 |
| <I/σ(I)> | 16.5 | |
| Completeness [%] | 99.7 | |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.6 M ammonium sulfate, 0.1 M Tris pH 7.5, 4% PEG 1000 |
