4U6N
Crystal structure of Escherichia coli DiaA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-04-10 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 47.490, 73.820, 106.370 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.650 - 1.910 |
R-factor | 0.1665 |
Rwork | 0.165 |
R-free | 0.19841 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yva |
RMSD bond length | 0.017 |
RMSD bond angle | 1.887 |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.000 | 2.000 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmerge | 0.081 | 0.594 |
Number of reflections | 14941 | |
<I/σ(I)> | 13.2 | 3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.9 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.9 | 298 | 0.1 M Tris pH 8.9, 0.25 M MgCl2, and 32-38% PEG3000 |