1JNW
Active Site Structure of E. coli pyridoxine 5'-phosphate Oxidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-12-04 |
| Detector | RIGAKU RAXIS II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 83.358, 52.238, 53.913 |
| Unit cell angles | 90.00, 101.45, 90.00 |
Refinement procedure
| Resolution | 40.000 * - 2.070 |
| R-factor | 0.178 |
| Rwork | 0.178 |
| R-free | 0.23000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dnl with omission of all waters ligands and ions |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.540 * |
| Data reduction software | bioteX |
| Data scaling software | bioteX |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.000 | 2.140 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.077 | 0.264 |
| Number of reflections | 13510 | |
| <I/σ(I)> | 8.3 | 2.1 |
| Completeness [%] | 96.6 | 92.9 |
| Redundancy | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 298 | potassium phosphate, ammonium phosphate, mercaptoethanol, N-morpholinoethanesulfonate, dioxane, pyridoxal 5-phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 9.3 (mg/ml) | |
| 2 | 1 | drop | potassium phosphate | 100 (mM) | pH7.5 |
| 3 | 1 | drop | 2-mercaptoethanol | 5 (mM) | |
| 4 | 1 | drop | PLP | 13 (mM) | |
| 5 | 1 | reservoir | ammonium sulfate | 1 (M) | |
| 6 | 1 | reservoir | dioxane | 1.5 (%(v/v)) | |
| 7 | 1 | reservoir | MES-NaOH | 0.1 (M) | pH7..0 |
