8JBQ
Pro-alpha-hemolysin of Vibrio campbellii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-04-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 208.825, 208.825, 52.309 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.000 |
R-factor | 0.1807 |
Rwork | 0.180 |
R-free | 0.19700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.474 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.109 | 0.790 |
Number of reflections | 78663 | 7754 |
<I/σ(I)> | 16.18 | 2.31 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 6.7 | 6.1 |
CC(1/2) | 0.998 | 0.727 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 100 mM sodium cacodylate/HCl, 200 mM lithium sulfate, and 30% (v/v) PEG 400 |