8SHV
38B7 unliganded
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-10-23 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.12713 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.980, 65.810, 136.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.220 - 1.580 |
| R-factor | 0.1648 |
| Rwork | 0.164 |
| R-free | 0.17840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.131 |
| Data reduction software | xia2 (0.5.900-ga3de5862-dials-1.14) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.610 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.070 | 1.406 |
| Number of reflections | 77127 | 3660 |
| <I/σ(I)> | 12.7 | |
| Completeness [%] | 99.8 | 96.2 |
| Redundancy | 7.4 | 6.1 |
| CC(1/2) | 0.999 | 0.406 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 20% PEG 4000, 100 mM MES pH 6.5 |
