2FGK
Crystal structure of the ABC-cassette E631Q mutant of HlyB with bound ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.142, 189.256, 63.475 |
| Unit cell angles | 90.00, 111.87, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.700 |
| R-factor | 0.22599 |
| Rwork | 0.223 |
| R-free | 0.28022 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xef |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.214 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 26565 | |
| <I/σ(I)> | 5.2 | |
| Completeness [%] | 98.9 | 98.3 |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | Tris, PEG 6000, MPD, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
