2FFB
The crystal structure of the HlyB-NBD E631Q mutant in complex with ADP
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 |
Collection date | 2003-08-08 |
Detector | MARRESEARCH |
Wavelength(s) | 1.05 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 178.568, 34.748, 37.518 |
Unit cell angles | 90.00, 97.97, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.20403 |
Rwork | 0.202 |
R-free | 0.25023 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mt0 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.414 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 16370 | |
<I/σ(I)> | 2.3 | |
Completeness [%] | 94.1 | 94.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 100 mM Tris, 16% PEG 6000, 5% MPD, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |