5B84
X-ray crystal structure of met I107Y sperm whale myoglobin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2016-01-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.911, 48.560, 78.184 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.570 - 1.610 |
| R-factor | 0.16743 |
| Rwork | 0.166 |
| R-free | 0.19418 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qau |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.105 |
| 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 | 0.079 | |
| Number of reflections | 19658 | |
| <I/σ(I)> | 34.4 | |
| Completeness [%] | 96.2 | 94.8 |
| Redundancy | 6.4 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 30%(w/v) Polyethylene glycol 8,000, 0.1M Sodium cacodylate trihydrate pH 6.5, 0.2M Sodium acetate trihydrate |
