7NIM
X-ray crystal structure of LsAA9A - cinnamon extract soak
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 | 2019-11-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 125.179, 125.179, 125.179 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.300 - 1.450 |
R-factor | 0.1683 |
Rwork | 0.167 |
R-free | 0.18730 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5ach |
RMSD bond length | 0.015 |
RMSD bond angle | 2.083 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.300 | 1.540 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmeas | 0.165 | 1.846 |
Number of reflections | 59727 | 9464 |
<I/σ(I)> | 20.57 | |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 70.1 | 41.3 |
CC(1/2) | 0.999 | 0.710 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 295 | 3.5 M NaCl, 0.1 M citric acid pH 4.0. 20-25 mg/ml LsAA9A. 2 ul hanging drops (1:1 protein:reservoir ratio). |