1PS7
Crystal structure of E.coli PdxA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| 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) | 0.9950 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 92.050, 76.693, 95.424 |
| Unit cell angles | 90.00, 109.73, 90.00 |
Refinement procedure
| Resolution | 45.000 - 2.450 * |
| Rwork | 0.213 |
| R-free | 0.27200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PdxA native model |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.450 | 2.470 |
| Rmerge | 0.092 * | |
| Total number of observations | 232767 * | |
| Number of reflections | 44115 * | |
| <I/σ(I)> | 9.4 | |
| Completeness [%] | 94.6 | 63.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 293 | Citrate, MgCl2, PEG 8K, Hepes, pH 7.5, 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 | 20 (%(w/v)) | |
| 7 | 1 | reservoir | HEPES | 100 (mM) | pH7.5 |
| 8 | 1 | reservoir | citrate | 75 (mM) | |
| 9 | 1 | reservoir | 100 (mM) |
