Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.976200 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 63.492, 75.176, 166.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.505 - 2.740 |
Rwork | 0.231 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AF-P27474-F1 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.534 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.510 | 48.510 | 2.870 |
High resolution limit [Å] | 2.740 | 9.090 | 2.740 |
Rmerge | 0.188 | 0.041 | 2.666 |
Rmeas | 0.195 | 0.042 | 2.769 |
Rpim | 0.053 | 0.012 | 0.745 |
Total number of observations | 142573 | 3923 | 19028 |
Number of reflections | 10860 | 340 | 1428 |
<I/σ(I)> | 11.8 | 41.6 | 1.2 |
Completeness [%] | 100.0 | 98.9 | 100 |
Redundancy | 13.1 | 11.5 | 13.3 |
CC(1/2) | 0.998 | 0.999 | 0.490 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Tris-HCl, 2M AmSO4 |