Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-04-20 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.978 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 154.598, 154.598, 229.312 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 128.187 - 3.300 |
Rwork | 0.238 |
R-free | 0.26880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6yla |
RMSD bond length | 0.004 |
RMSD bond angle | 1.390 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 128.187 | 3.350 |
High resolution limit [Å] | 3.290 | 3.290 |
Rpim | 0.094 | 4.094 |
Number of reflections | 40954 | 1538 |
<I/σ(I)> | 4.9 | |
Completeness [%] | 98.0 | |
Redundancy | 78 | |
CC(1/2) | 0.994 | 0.369 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 298 | The best crystals were grown in condition containing 0.1 M sodium citrate tribasic dihydrate, pH 5.0, 10% (w/v) Polyethylene glycol 6000. |