Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-21 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.000029 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 93.962, 169.894, 143.547 |
Unit cell angles | 90.00, 96.74, 90.00 |
Refinement procedure
Resolution | 49.095 - 2.872 |
Rwork | 0.238 |
R-free | 0.26220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ixo |
RMSD bond length | 0.006 |
RMSD bond angle | 1.308 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.095 | 49.090 | 2.920 |
High resolution limit [Å] | 2.870 | 15.730 | 2.870 |
Rmerge | 0.211 | 0.028 | 1.684 |
Rmeas | 0.250 | 0.033 | 1.995 |
Rpim | 0.132 | 0.017 | 1.061 |
Number of reflections | 101500 | 628 | 4649 |
<I/σ(I)> | 7.5 | ||
Completeness [%] | 99.6 | ||
Redundancy | 6.9 | 6.5 | 6.7 |
CC(1/2) | 0.996 | 1.000 | 0.540 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 0.2 M K/Na tartrate 20% w/v PEG 3350 |