1BF6
PHOSPHOTRIESTERASE HOMOLOGY PROTEIN FROM ESCHERICHIA COLI
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 105 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-10 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.070, 80.800, 98.200 |
| Unit cell angles | 90.00, 97.10, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.700 |
| R-factor | 0.204 |
| Rwork | 0.204 |
| R-free | 0.24100 |
| Structure solution method | MIR |
| RMSD bond length | 0.008 |
| RMSD bond angle | 22.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.075 | 0.240 |
| Total number of observations | 286468 * | |
| Number of reflections | 69475 | |
| <I/σ(I)> | 10.6 | 3 |
| Completeness [%] | 96.0 | 78 |
| Redundancy | 4 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | pH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 1.5 (M) | |
| 3 | 1 | reservoir | MPD | 10 (%) | |
| 4 | 1 | reservoir | 0.1 (mM) | ||
| 5 | 1 | reservoir | HEPES | 50 (mM) |
