2WFM
Crystal structure of polyneuridine aldehyde esterase mutant (H244A)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 170.250, 46.810, 184.170 |
| Unit cell angles | 90.00, 104.89, 90.00 |
Refinement procedure
| Resolution | 19.940 - 2.200 |
| R-factor | 0.19827 |
| Rwork | 0.198 |
| R-free | 0.23579 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wfl |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.701 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | Auto-Rickshaw |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.060 | 0.340 |
| Number of reflections | 91937 | |
| <I/σ(I)> | 11.5 | 2.7 |
| Completeness [%] | 96.8 | 88.3 |
| Redundancy | 2.7 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | 0.2 M BIS-TRIS, 0.25 M LI2SO4, 25% POLYETHYLENE GLYCOL 3350, PH 6.30 |
