2WFL
Crystal structure of polyneuridine aldehyde esterase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 92.758, 176.917, 75.697 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.183 |
| Rwork | 0.182 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xkl |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.897 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | Auto-Rickshaw |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.070 | 0.540 |
| Number of reflections | 36861 | |
| <I/σ(I)> | 32.5 | 4.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.6 | 9.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | 0.20M BIS-TRIS, 0.25M LI2SO4, 25%POLYETHYLENE GLYCOL 3350, PH6.30., pH 6.8 |
