7DNP
Structure of Brucella abortus SagA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100.15 |
Detector technology | PIXEL |
Collection date | 2020-03-27 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.00003 |
Spacegroup name | P 21 3 |
Unit cell lengths | 79.040, 79.040, 79.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.630 - 2.000 |
R-factor | 0.188 |
Rwork | 0.186 |
R-free | 0.22430 |
Structure solution method | SAD |
RMSD bond length | 0.003 |
RMSD bond angle | 0.612 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AutoSol |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.049 | 0.239 |
Rmeas | 0.056 | 0.219 |
Rpim | 0.009 | 0.043 |
Number of reflections | 11424 | 570 |
<I/σ(I)> | 67.5 | 15.6 |
Completeness [%] | 100.0 | |
Redundancy | 30.7 | |
CC(1/2) | 0.999 | 0.989 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 287.15 | 0.2 M ammonium acetate, 0.1 M sodium acetate trihydrate (pH 4.1), 21% (w/v) polyethylene glycol 4,000, 2 mM Tris(2-chloroethyl) phosphate (TCEP) |