4BES
Crystal structure of the Legionella pneumophila FIC domain-containing effector AnkX protein in complex with cytidine monophosphate and phosphocholine
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 | 2012-03-22 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 84.275, 122.304, 54.985 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.100 - 2.540 |
| R-factor | 0.2035 |
| Rwork | 0.201 |
| R-free | 0.25850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bep |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.210 |
| 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] | 43.100 | 2.680 |
| High resolution limit [Å] | 2.540 | 2.540 |
| Rmerge | 0.100 | 0.750 |
| Number of reflections | 19367 | |
| <I/σ(I)> | 13.42 | 2.5 |
| Completeness [%] | 99.7 | 98.8 |
| Redundancy | 5.8 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.2 M AMMONIUM SULFATE, 30% PEG 5000 MME, 0.1 M MES PH 6.5 |
