6VVD
Legionella pneumophila Lpg2603 kinase bound to IP6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97927 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.928, 73.207, 261.249 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.540 - 2.650 |
| R-factor | 0.2579 |
| Rwork | 0.256 |
| R-free | 0.28050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6vvc |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.586 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.700 |
| High resolution limit [Å] | 2.650 | 7.190 | 2.650 |
| Rmerge | 0.073 | 0.029 | 1.988 |
| Rmeas | 0.075 | 0.030 | 2.052 |
| Rpim | 0.017 | 0.007 | 0.490 |
| Total number of observations | 575456 | ||
| Number of reflections | 30198 | 1699 | 1415 |
| <I/σ(I)> | 9.4 | ||
| Completeness [%] | 99.2 | 99.5 | 96.3 |
| Redundancy | 19.1 | 19.5 | 15.3 |
| CC(1/2) | 0.999 | 0.541 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.75 | 293 | 0.1 M sodium acetate, 0.03 M sodium chloride, 1 mm IP6, 45% ethylene glycol |
