7DGN
The Co-bound dimeric structure of K79H/G80A/H81A 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 | 2018-07-03 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.966, 63.463, 83.003 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.010 - 2.350 |
| R-factor | 0.20454 |
| Rwork | 0.202 |
| R-free | 0.26877 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vm9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.617 |
| 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] | 47.000 | 2.410 |
| High resolution limit [Å] | 2.350 | 2.360 |
| Rmerge | 0.096 | 0.851 |
| Number of reflections | 13080 | 1265 |
| <I/σ(I)> | 11.6 | 1.8 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6 | 5.5 |
| CC(1/2) | 0.998 | 0.757 |
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 |
