1PTM
Crystal structure of E.coli PdxA
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-08-17 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.979322, 0.979289, 0.964092 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.478, 79.228, 114.157 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.960 |
| Rwork | 0.217 |
| R-free | 0.26700 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Number of reflections | 348771 | |
| <I/σ(I)> | 11.1 | |
| Completeness [%] | 99.5 | 97.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | Tri HCl, PEG8K, 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 |
