3LNV
The crystal structure of fatty acyl-adenylate ligase from L. pneumophila in complex with acyl adenylate and pyrophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-04-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.193, 78.243, 108.395 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.553 - 2.000 |
| R-factor | 0.1959 |
| Rwork | 0.193 |
| R-free | 0.24430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kxw |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.270 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.240 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.141 | 0.730 |
| Number of reflections | 41113 | |
| <I/σ(I)> | 20.8 | 3.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.9 | 13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 0.2 M Magnesium chloride hexahydrate 0.1 M Bis Tris pH 6.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP |
