Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL10U2 |
Synchrotron site | SSRF |
Beamline | BL10U2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-04-13 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 141.430, 141.430, 80.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.100 - 3.490 |
R-factor | 0.1979 |
Rwork | 0.196 |
R-free | 0.22910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4p9w |
RMSD bond length | 0.012 |
RMSD bond angle | 1.833 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.18.2-3874-000)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.250 | 3.580 |
High resolution limit [Å] | 3.490 | 3.490 |
Rmerge | 0.186 | 1.069 |
Rmeas | 0.190 | 1.090 |
Rpim | 0.039 | 0.212 |
Total number of observations | 264888 | 20492 |
Number of reflections | 10870 | 782 |
<I/σ(I)> | 17.7 | 4.1 |
Completeness [%] | 100.0 | |
Redundancy | 24.4 | 26.2 |
CC(1/2) | 0.996 | 0.880 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1M Tris-HCl pH 8.5, 2.0M Ammonium phosphate monobasic |