6JP1
An X-ray structure of met sperm whale F43Y/T67R myoglobin with Tyr-heme double cross-links
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 | 2017-03-22 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.406, 33.604, 72.886 |
| Unit cell angles | 90.00, 117.87, 90.00 |
Refinement procedure
| Resolution | 36.440 - 1.990 |
| R-factor | 0.17349 |
| Rwork | 0.171 |
| R-free | 0.22049 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vxa |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.991 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.040 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.121 | 0.892 |
| Rpim | 0.103 | 0.675 |
| Number of reflections | 21592 | 2736 |
| <I/σ(I)> | 19.71 | 2.59 |
| Completeness [%] | 99.3 | 94.3 |
| Redundancy | 7.3 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2 M Sodium acetate trihydrate,0.1 M Sodium cacodylate trihydrate pH 6.5, 30% w/v Polyethylene glycol 8000 |
