6TD9
X-ray structure of mature PA1624 from Pseudomonas aeruginosa PAO1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-09-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979531 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.304, 59.317, 158.542 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.490 - 1.960 |
R-factor | 0.1784 |
Rwork | 0.175 |
R-free | 0.23930 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.237 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | SHELXCD |
Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.000 | 2.030 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.224 | 1.739 |
Rmeas | 0.225 | 1.763 |
Rpim | 0.023 | 0.282 |
Number of reflections | 36764 | 3576 |
<I/σ(I)> | 27.08 | 2.58 |
Completeness [%] | 99.4 | 98.1 |
Redundancy | 91 | 36.4 |
CC(1/2) | 0.999 | 0.746 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 293 | 0.15 M NaAc, 0.1 M HEPES, 23.3% PEG 4000 |