1EZ2
THREE-DIMENSIONAL STRUCTURE OF THE ZINC-CONTAINING PHOSPHOTRIESTERASE WITH BOUND SUBSTRATE ANALOG DIISOPROPYLMETHYL PHOSPHONATE.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 277 |
| Detector technology | AREA DETECTOR |
| Collection date | 1997-10-01 |
| Detector | SIEMENS HI-STAR |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 129.400, 91.000, 69.200 |
| Unit cell angles | 90.00, 91.60, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.183 |
| R-free | 0.24100 * |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.090 * |
| Data scaling software | XDS |
| Phasing software | TNT |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.990 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.045 | 0.162 |
| Number of reflections | 58525 | |
| <I/σ(I)> | 12.3 | |
| Completeness [%] | 88.0 * | 78 |
| Redundancy | 2.6 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 9 | 4 * | macroseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 5 (mg/ml) | |
| 2 | 1 | 1 | PEG8000 | 7 (%(w/v)) | |
| 3 | 1 | 1 | 100 (mM) | ||
| 4 | 1 | 1 | 2-phenylethanol | 0.5 (%(v/v)) | |
| 5 | 1 | 1 | inhibitor | 3 (%(v/v)) | |
| 6 | 1 | 1 | CHES | 50 (mM) |
