Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-26 |
Detector | DECTRIS PILATUS 12M |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.940, 135.160, 145.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 98.916 - 1.860 |
R-factor | 0.24 |
Rwork | 0.239 |
R-free | 0.26000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data scaling software | Aimless |
Refinement software | BUSTER (2.11.7 PACIOREK) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 98.916 | 1.888 |
High resolution limit [Å] | 1.856 | 1.856 |
Rmerge | 0.060 | 0.616 |
Rmeas | 0.065 | 0.673 |
Rpim | 0.026 | 0.267 |
Total number of observations | 498259 | 24185 |
Number of reflections | 78897 | 3869 |
<I/σ(I)> | 14.2 | 2.4 |
Completeness [%] | 99.7 | |
Redundancy | 6.3 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 13-18% PEG3350, 0.2-0.35M Am. Cit. pH7.0 |