1G77
X-RAY STRUCTURE OF ESCHERICHIA COLI PYRIDOXINE 5`-PHOSPHATE OXIDASE COMPLEXED WITH PYRIDOXAL 5'-PHOSPHATE AT 2.0 A RESOLUTION
Experimental procedure
| Experimental method | LAUE |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 98 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-03-23 |
| Detector | RIGAKU RAXIS II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 63.440, 63.440, 124.640 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.000 - 2.100 |
| R-factor | 0.21008 |
| Rwork | 0.209 |
| R-free | 0.23600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1dnl |
| RMSD bond length | 0.012 |
| RMSD bond angle | 23.200 * |
| Data reduction software | bioteX |
| Data scaling software | bioteX |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.000 | 2.330 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.049 | 0.156 |
| Total number of observations | 63660 * | |
| Number of reflections | 17276 | 4480 * |
| <I/σ(I)> | 10.8 | 3 |
| Completeness [%] | 97.1 | 96.5 |
| Redundancy | 3.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 * | 298 | macroseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 0.8-1.1 (M) | |
| 2 | 1 | reservoir | MES-NaOH | 0.1 (M) | |
| 3 | 1 | reservoir | dioxane | 5 (%) |
