6XYM
Nbe-LBM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.953700 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 60.731, 63.855, 66.792 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.730 - 1.200 |
| R-factor | 0.1562 |
| Rwork | 0.154 |
| R-free | 0.19820 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.073 |
| Data reduction software | XDS (VERSION Jan 26, 2018) |
| Data scaling software | Aimless |
| Phasing software | SHELXDE |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 63.850 | 63.850 | 1.220 |
| High resolution limit [Å] | 1.200 | 6.570 | 1.200 |
| Rmerge | 0.086 | 0.048 | 3.372 |
| Rmeas | 0.090 | 0.050 | 3.517 |
| Rpim | 0.025 | 0.014 | 0.986 |
| Total number of observations | 1061978 | 7144 | 49045 |
| Number of reflections | 81806 | 591 | 3973 |
| <I/σ(I)> | 15.9 | 72.3 | 0.8 |
| Completeness [%] | 99.9 | 99.7 | 98.7 |
| Redundancy | 13 | 12.1 | 12.3 |
| CC(1/2) | 0.999 | 0.999 | 0.518 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 30 %(w/v) PEG 1500 |
