4BET
Crystal structure of the Legionella pneumophila FIC domain-containing effector AnkX protein (inactive H229A mutant) in complex with cytidine-diphosphate-choline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-02 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.100, 122.150, 75.700 |
| Unit cell angles | 90.00, 107.32, 90.00 |
Refinement procedure
| Resolution | 43.890 - 2.550 |
| R-factor | 0.2055 |
| Rwork | 0.203 |
| R-free | 0.24730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bep |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.220 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.890 | 2.700 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.090 | 0.840 |
| Number of reflections | 36935 | |
| <I/σ(I)> | 12.02 | 1.75 |
| Completeness [%] | 98.7 | 97.4 |
| Redundancy | 4.7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2 M LITHIUM SULFATE, 14% PEG 4000, 0.1 M TRIS PH 7.5 |
