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 |