7NIN
X-ray crystal structure of LsAA9A - CinnamtanninB1 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 | 2020-06-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 41 3 2 |
| Unit cell lengths | 125.040, 125.040, 125.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.250 - 1.400 |
| R-factor | 0.175 |
| Rwork | 0.174 |
| R-free | 0.19210 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5ach |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.057 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.250 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmeas | 0.073 | 4.270 |
| Number of reflections | 66072 | 10497 |
| <I/σ(I)> | 38.72 | 0.99 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 72.5 | 55.6 |
| CC(1/2) | 1.000 | 0.532 |
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 drops (1:1 protein:reservoir ratio) |
