8FXJ
Crystal structure of Fab460
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-12-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 129.546, 129.546, 96.808 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.440 - 2.000 |
R-factor | 0.1678 |
Rwork | 0.167 |
R-free | 0.19390 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.286 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.102 | 1.193 |
Rmeas | 0.110 | 1.294 |
Rpim | 0.041 | 0.489 |
Number of reflections | 63553 | 3133 |
<I/σ(I)> | 23.23 | 1.36 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 6.8 | 6.4 |
CC(1/2) | 0.992 | 0.571 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | 1.5M Lithium sulfate monohydrate, 0.1M Sodium actate, |