2DGM
Crystal structure of Escherichia coli GadB in complex with iodide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2003-05-02 |
Detector | MARRESEARCH |
Wavelength(s) | 1.300 |
Spacegroup name | P 1 |
Unit cell lengths | 91.336, 91.804, 93.914 |
Unit cell angles | 76.65, 76.94, 78.04 |
Refinement procedure
Resolution | 40.000 - 1.950 |
Rwork | 0.227 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pmm |
RMSD bond length | 0.006 |
RMSD bond angle | 1.260 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 191280 | |
<I/σ(I)> | 5.9 | 2.7 |
Completeness [%] | 92.7 | 84.4 |
Redundancy | 1.8 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 0.135M sodium acetate, 0.7M sodium formate, 13% PEG 4000, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |