7PXU
LsAA9_A chemically reduced with ascorbic acid (low X-ray dose)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-09-03 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 125.020, 125.020, 125.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.240 - 1.800 |
R-factor | 0.1968 |
Rwork | 0.195 |
R-free | 0.22650 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5ach |
RMSD bond length | 0.010 |
RMSD bond angle | 1.593 |
Data reduction software | XDS (Feb 5, 2021 BUILT=20210323) |
Data scaling software | XSCALE (Jan 31, 2020) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.240 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmeas | 0.220 | 0.921 |
Number of reflections | 30547 | 2272 |
<I/σ(I)> | 4.84 | |
Completeness [%] | 96.9 | 99.6 |
Redundancy | 4.25 | 4.23 |
CC(1/2) | 0.984 | 0.562 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 298 | 3.5 M sodium chloride, 0.1 M citric acid pH 4.0 After the crystals were grown, they were transferred to a drop consisting of 3.5 M sodium chloride, 0.1 M citric acid pH 5.5, 0.01 M ascorbic acid pH 5.5 for 20 minutes before flash freezing |