7O93
diMn-sulerythrin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-05 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.91841 |
Spacegroup name | P 63 |
Unit cell lengths | 72.611, 72.611, 99.272 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.960 - 1.170 |
R-factor | 0.1255 |
Rwork | 0.125 |
R-free | 0.14401 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j30 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.787 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.960 | 1.210 |
High resolution limit [Å] | 1.170 | 1.170 |
Number of reflections | 99789 | 9907 |
<I/σ(I)> | 16.2 | |
Completeness [%] | 100.0 | |
Redundancy | 11.11 | |
CC(1/2) | 0.994 | 0.627 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.1 M Bis-Tris (pH 5.5) and 20-25% (w/v) PEG3350 |