5JA8
Crystal structure of the HigB2 toxin in complex with Nb2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-06-20 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.978570 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.000, 109.280, 117.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.476 - 2.490 |
R-factor | 0.2036 |
Rwork | 0.201 |
R-free | 0.24760 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.031 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.545 | 49.545 | 2.640 |
High resolution limit [Å] | 2.490 | 7.400 | 2.490 |
Rmerge | 0.179 | 0.052 | 1.351 |
Number of reflections | 34841 | ||
<I/σ(I)> | 9.17 | 24.63 | 1.47 |
Completeness [%] | 99.4 | 98.8 | 96.7 |
Redundancy | 7.24 | ||
CC(1/2) | 0.996 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M Lithiumsulphate; 0.1M Tris pH8.5; 30% (w/v) PEG4000 |