7DSG
Crystal structure of Brucella abortus PhiA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | PAL-XFEL BEAMLINE NCI |
Synchrotron site | PAL-XFEL |
Beamline | NCI |
Temperature [K] | 298.15 |
Detector technology | CCD |
Collection date | 2020-05-29 |
Detector | RAYONIX MX225-HS |
Wavelength(s) | 0.9795 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 53.020, 62.100, 68.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.940 - 1.900 |
R-factor | 0.2409 |
Rwork | 0.238 |
R-free | 0.26090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mir |
RMSD bond length | 0.009 |
RMSD bond angle | 0.952 |
Data reduction software | CrystFEL |
Data scaling software | CrystFEL |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.950 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 17157 | 5214 |
<I/σ(I)> | 3.7 | |
Completeness [%] | 100.0 | |
Redundancy | 108.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 287.15 | 2% Tacsimate pH 6.5, 0.1 M BIS-TRIS pH 6.5, 24% (w/v) PEG 3350 |