6W72
BlsA photo-activated state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-28 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.91979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.404, 39.286, 92.823 |
| Unit cell angles | 90.00, 103.80, 90.00 |
Refinement procedure
| Resolution | 29.630 - 1.760 |
| R-factor | 0.1945 |
| Rwork | 0.193 |
| R-free | 0.23670 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.705 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.630 | 29.620 | 1.800 |
| High resolution limit [Å] | 1.760 | 7.860 | 1.760 |
| Rmerge | 0.069 | 0.034 | 0.551 |
| Rmeas | 0.079 | 0.038 | 0.644 |
| Rpim | 0.038 | 0.017 | 0.324 |
| Total number of observations | 1767 | 4517 | |
| Number of reflections | 32248 | 401 | 1413 |
| <I/σ(I)> | 10.8 | 24.9 | 1.5 |
| Completeness [%] | 94.6 | 97.1 | 57.3 |
| Redundancy | 4.2 | 4.4 | 3.2 |
| CC(1/2) | 0.998 | 0.999 | 0.854 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M Sodium Chloride 20% PEG 3350 |
