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 |
