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 |