5ZZG
X-ray structure of F43Y/H64D sperm whale myoglobin in complex with TCP
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 | 2018-05-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.899, 49.477, 77.333 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.460 - 1.800 |
| R-factor | 0.18679 |
| Rwork | 0.185 |
| R-free | 0.22897 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2eb8 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 3.123 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.107 | 0.694 |
| Rpim | 0.047 | 0.294 |
| Number of reflections | 14844 | 710 |
| <I/σ(I)> | 24.5 | 1.48 |
| Completeness [%] | 99.7 | 98.2 |
| Redundancy | 6.3 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 30% PEG8000, 0.2 M Sodium acetate trihydrate, 0.1 M Sodium cacodylate trihydrate pH 6.5 |
