2FGJ
Crystal structure of the ABC-cassette H662A 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 | 46.558, 195.166, 63.288 |
Unit cell angles | 90.00, 110.85, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.600 |
R-factor | 0.21147 |
Rwork | 0.208 |
R-free | 0.27936 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xef |
RMSD bond length | 0.007 |
RMSD bond angle | 1.085 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0000) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.650 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 24465 | |
Completeness [%] | 96.4 | 93.2 |
Redundancy | 10.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | sodium malonate, PEG 5500-MME, sodium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |