6BMG
Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 85.995, 85.995, 109.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.286 - 1.880 |
| R-factor | 0.1558 |
| Rwork | 0.154 |
| R-free | 0.19030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2mbw |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.299 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.290 | 29.290 | 1.920 |
| High resolution limit [Å] | 1.880 | 9.020 | 1.880 |
| Rmerge | 0.098 | 0.025 | 1.396 |
| Rmeas | 0.107 | 0.027 | 1.518 |
| Rpim | 0.042 | 0.011 | 0.590 |
| Total number of observations | 218789 | ||
| Number of reflections | 33947 | 370 | 2162 |
| <I/σ(I)> | 14.5 | ||
| Completeness [%] | 99.9 | 97.4 | 100 |
| Redundancy | 6.4 | 5.6 | 6.5 |
| CC(1/2) | 0.999 | 0.999 | 0.557 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M sodium HEPES, pH 7.5, 1 M sodium acetate, 0.05 M cadmium sulfate 8/3-hydrate |
