8XIG
The crystal structure of the AEP domain of MPXV E5
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 | 2023-12-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.982, 54.816, 74.845 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.410 - 1.650 |
R-factor | 0.1752 |
Rwork | 0.173 |
R-free | 0.21630 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.970 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.710 |
High resolution limit [Å] | 1.650 | 3.550 | 1.650 |
Rmerge | 0.117 | 0.092 | 0.491 |
Rmeas | 0.123 | 0.096 | 0.526 |
Rpim | 0.036 | 0.028 | 0.182 |
Total number of observations | 266804 | ||
Number of reflections | 26185 | 2827 | 2395 |
<I/σ(I)> | 7.4 | ||
Completeness [%] | 99.1 | 99.9 | 91.9 |
Redundancy | 10.2 | 11.6 | 6.9 |
CC(1/2) | 0.993 | 0.994 | 0.897 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.1 M Magnesium formate dihydrate, 15% w/v Polyethylene glycol 3,350 |