7DGL
The Ni-bound dimeric structure of K78H/G80A/H82A myoglobin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-26 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.819, 63.276, 83.267 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.930 - 1.910 |
| R-factor | 0.21153 |
| Rwork | 0.209 |
| R-free | 0.26226 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vm9 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.520 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.980 | 2.020 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.073 | 0.919 |
| Number of reflections | 23917 | 3452 |
| <I/σ(I)> | 13.9 | 1.8 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.4 | 6.5 |
| CC(1/2) | 0.999 | 0.705 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.1 M Sodium acetate, 0.1 M Tris-HCl, 25% (w/v) PEG 6,000 |
