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 |