6XVI
Crystal structure of Megabody Mb-Nb207-c7HopQ_A12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.968590 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 96.047, 117.376, 96.844 |
| Unit cell angles | 90.00, 90.72, 90.00 |
Refinement procedure
| Resolution | 29.620 - 2.596 |
| R-factor | 0.225150860774 |
| Rwork | 0.224 |
| R-free | 0.25044 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lp2 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.319 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.620 | 2.750 |
| High resolution limit [Å] | 2.596 | 2.600 |
| Rmeas | 0.075 | 0.787 |
| Number of reflections | 62815 | 7514 |
| <I/σ(I)> | 12.86 | 1.63 |
| Completeness [%] | 94.6 | 70.7 |
| Redundancy | 3.21 | 2.76 |
| CC(1/2) | 0.998 | 0.616 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.2 M magnesium chloride, 0.1 M BIS-Tris pH 5.0, 21% w/v PEG3350 |
