2YVA
Crystal structure of Escherichia coli DiaA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44B2 |
Synchrotron site | SPring-8 |
Beamline | BL44B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-04-13 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 71.357, 81.210, 67.409 |
Unit cell angles | 90.00, 115.33, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.850 |
R-factor | 0.183 |
Rwork | 0.183 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x92 crystal structure of Pseudomonas aeruginosa Phosphoheptose isomerase |
RMSD bond length | 0.006 |
RMSD bond angle | 1.240 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.042 | 0.172 |
Number of reflections | 29746 | |
<I/σ(I)> | 18.5 | 8 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 4 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | PEG4000, Dioxane, citrate, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |