6L7N
crystal structure of a FUNGAL LIPASES
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 |
| Unit cell lengths | 33.247, 44.928, 46.025 |
| Unit cell angles | 109.22, 101.36, 112.10 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.1787 |
| Rwork | 0.176 |
| R-free | 0.22750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dt3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.888 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.039 | 0.100 |
| Rpim | 0.040 | 0.100 |
| Number of reflections | 19035 | 1069 |
| <I/σ(I)> | 23.4 | 12.26 |
| Completeness [%] | 94.3 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 26% PEG 1500, 0.1 M Sodium acetate pH 4.0 |
