5ZZF
X-ray structure of F43Y/H64D sperm whale myoglobin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-10 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.841, 49.327, 77.531 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.010 - 1.600 |
| R-factor | 0.16865 |
| Rwork | 0.166 |
| R-free | 0.20989 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jho |
| RMSD bond length | 0.024 |
| RMSD bond angle | 3.605 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.075 | 0.424 |
| Rpim | 0.032 | 0.183 |
| Number of reflections | 20810 | 1019 |
| <I/σ(I)> | 16.1 | 3 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 6.4 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 30% w/v Polyethylene glycol 8000, 0.1 M Sodium cacodylate trihydrate pH 6.5, 0.2 M Sodium acetate trihydrate |
