5G59
Structure of the Pyrococcus Furiosus Esterase Pf2001 with space group P3121
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 105.334, 105.334, 47.843 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.667 - 1.613 |
| R-factor | 0.1683 |
| Rwork | 0.167 |
| R-free | 0.19440 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.058 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.660 | 1.620 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.240 | 1.400 |
| Number of reflections | 39571 | |
| <I/σ(I)> | 15.7 | 3 |
| Completeness [%] | 100.0 | 99.2 |
| Redundancy | 17.7 | 17.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 30% MPD, 10% PEG 4000, 0.1 M IMIDAZOLE-HCL, PH 8.0 |
