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 |