8RLL
Structure of the apo form of PIB-1 in an Orthorombic space group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.978815 |
| Spacegroup name | H 3 |
| Unit cell lengths | 149.491, 149.491, 247.014 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.000 - 2.720 |
| R-factor | 0.1844 |
| Rwork | 0.183 |
| R-free | 0.22650 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.008 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CRANK |
| Refinement software | PHENIX (dev_4746) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.000 | 2.880 |
| High resolution limit [Å] | 2.720 | 2.720 |
| Number of reflections | 55462 | 17754 |
| <I/σ(I)> | 9.67 | 1.46 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 5.24 | |
| CC(1/2) | 0.996 | 0.717 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.1 M sodium acetate buffer at pH 4.6 containing 8% PEG 4000 |
