1PS1
PENTALENENE SYNTHASE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1996-09 |
| Detector | PRINCETON 2K |
| Spacegroup name | P 63 |
| Unit cell lengths | 178.720, 178.720, 56.620 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.27300 |
| Structure solution method | MIR |
| RMSD bond length | 0.016 |
| RMSD bond angle | 21.200 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLOMON |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.056 * | 0.158 * |
| Total number of observations | 70683 * | |
| Number of reflections | 28128 | |
| <I/σ(I)> | 13.8 | |
| Completeness [%] | 87.5 | 57.7 |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | Lesburg, C.A., (1995) Protein Sci., 4, 2436. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 1.4-1.8 (M) | |
| 3 | 1 | reservoir | sodium citrate | 1.0-1.4 (M) | |
| 4 | 1 | reservoir | potassium phosphate | 0.8-1.8 (M) |
