8JQT
Crystal structure of U03-GPAKGIEYD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-06-09 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | I 4 |
Unit cell lengths | 126.282, 126.282, 65.167 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.780 - 1.990 |
R-factor | 0.1923 |
Rwork | 0.191 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.002 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 2.030 |
High resolution limit [Å] | 1.990 | 5.390 | 2.000 |
Rmerge | 0.232 | 0.153 | 0.821 |
Rmeas | 0.243 | 0.160 | 0.880 |
Rpim | 0.072 | 0.047 | 0.310 |
Number of reflections | 35107 | 1824 | 1750 |
<I/σ(I)> | 3.2 | ||
Completeness [%] | 99.9 | 100 | 98.8 |
Redundancy | 11.6 | 12.4 | 7.6 |
CC(1/2) | 0.974 | 0.991 | 0.711 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 277.15 | BIS-TRIS pH6.5 PEG3350 |