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 | 2025-03-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0597 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.990, 200.690, 103.380 |
Unit cell angles | 90.00, 95.73, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.500 |
R-factor | 0.23142 |
Rwork | 0.229 |
R-free | 0.25930 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 1.193 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.119 | 0.688 |
Number of reflections | 80198 | 9241 |
<I/σ(I)> | 7.5 | 2 |
Completeness [%] | 95.8 | 99.6 |
Redundancy | 3.1 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 15% Ethanol, 40% Pentaerythritol propoxylate |