5YZF
X-ray crystal structure of met K42C 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 | 2017-11-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.988 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.794, 47.931, 82.705 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.370 - 1.770 |
| R-factor | 0.16066 |
| Rwork | 0.158 |
| R-free | 0.20255 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 101m |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.820 |
| 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 | 1.800 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.124 | 0.503 |
| Rpim | 0.054 | 0.228 |
| Number of reflections | 15228 | |
| <I/σ(I)> | 24.9 | |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 6.3 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M Sodium acetate trihydrate, 0.1M Sodium cacodylate trihydrate pH 6.5, 30%(w/v) Polyethylene glycol 8000 |
