Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-08-17 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 98.316, 52.688, 127.844 |
Unit cell angles | 90.00, 95.19, 90.00 |
Refinement procedure
Resolution | 98.104 - 3.100 |
Rwork | 0.185 |
R-free | 0.28500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uik |
RMSD bond length | 0.006 |
RMSD bond angle | 1.487 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 98.104 | 3.310 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.102 | 0.288 |
Rmeas | 0.142 | 0.401 |
Rpim | 0.099 | 0.278 |
Number of reflections | 20422 | 20422 |
<I/σ(I)> | 6 | |
Completeness [%] | 85.9 | |
Redundancy | 3 | 2.1 |
CC(1/2) | 0.985 | 0.878 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.075M Sodium fluoride, 0.1M Bis-tris propane, 10% PEG3350 |