9EQE
X-ray crystal structure of LsAA9A
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 | 2019-08-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.805 |
| Spacegroup name | P 41 3 2 |
| Unit cell lengths | 125.610, 125.610, 125.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.450 - 2.700 |
| R-factor | 0.17966 |
| Rwork | 0.176 |
| R-free | 0.23848 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.404 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.770 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmeas | 0.077 | 0.212 |
| Number of reflections | 9557 | 683 |
| <I/σ(I)> | 15.52 | |
| Completeness [%] | 97.5 | 97.3 |
| Redundancy | 3.88 | 3.64 |
| CC(1/2) | 0.994 | 0.973 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 3.5M NaCl, 0.1M citrate buffer pH 3.5 in 96-wells MRC-2 plates with 70 microliter of reservoirs and 0.3 microliter drops |
