1PS6
Crystal structure of E.coli PdxA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-03-04 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.722, 79.141, 114.069 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.250 |
| Rwork | 0.206 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Native PdxA |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.121 * | |
| Total number of observations | 157588 * | |
| Number of reflections | 29976 * | |
| <I/σ(I)> | 9.4 | |
| Completeness [%] | 90.3 | 54.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | Tris HCL, PEG 8000, NaOAc, MgCl2, NaKPO4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8.1 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | p8. |
| 3 | 1 | drop | 0.2 (M) | ||
| 4 | 1 | drop | dithiothreitol | 10 (mM) | |
| 5 | 1 | drop | glycerol | 5 (%(w/v)) | |
| 6 | 1 | reservoir | PEG8000 | 7.5 (%(w/v)) | |
| 7 | 1 | reservoir | 0.1 (M) | pH5.5 | |
| 8 | 1 | reservoir | 10 (mM) | ||
| 9 | 1 | reservoir | 10 (mM) | pH5.9 |
