6ZJ8
Structure of the PAS domain from Bordetella pertussis BvgS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-10 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.98999 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 121.960, 122.288, 105.283 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.650 - 2.400 |
R-factor | 0.2281 |
Rwork | 0.227 |
R-free | 0.25190 |
Structure solution method | MAD |
RMSD bond length | 0.002 |
RMSD bond angle | 0.472 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | SHARP |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.000 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.074 | 0.320 |
Number of reflections | 70503 | 6931 |
<I/σ(I)> | 17.12 | 1.28 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 7 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 292 | sodium acetate 0.1 M (pH 5), 2% PEG 6000, 15% glycerol |