Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97926 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 97.842, 97.842, 82.508 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.795 - 2.460 |
Rwork | 0.206 |
R-free | 0.22320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5emo |
RMSD bond length | 0.011 |
RMSD bond angle | 2.111 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.920 | 2.560 |
High resolution limit [Å] | 2.460 | 2.460 |
Number of reflections | 15064 | 1673 |
<I/σ(I)> | 26.5 | |
Completeness [%] | 99.9 | |
Redundancy | 8.5 | |
CC(1/2) | 1.000 | 0.531 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Ammonium sulfate |