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 | 2024-06-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 41 |
Unit cell lengths | 61.379, 61.379, 233.175 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.380 - 2.430 |
R-factor | 0.2149 |
Rwork | 0.211 |
R-free | 0.28220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4p9w |
RMSD bond length | 0.009 |
RMSD bond angle | 1.190 |
Data reduction software | XDS |
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] | 61.380 | 2.560 |
High resolution limit [Å] | 2.430 | 2.430 |
Rmerge | 0.335 | 3.095 |
Rmeas | 0.351 | 3.245 |
Rpim | 0.103 | 0.967 |
Total number of observations | 352019 | 53789 |
Number of reflections | 31076 | 4725 |
<I/σ(I)> | 5.3 | 1.9 |
Completeness [%] | 96.1 | |
Redundancy | 11.3 | 11.4 |
CC(1/2) | 0.987 | 0.447 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M MES monohydrate pH 6.5, 12 % w/v Polyethylene glycol 20,000 |