9J3F
The structure of phospholipase TleB
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 | 2020-12-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.640, 70.366, 78.775 |
| Unit cell angles | 90.00, 99.26, 90.00 |
Refinement procedure
| Resolution | 46.650 - 1.900 |
| R-factor | 0.1686 |
| Rwork | 0.168 |
| R-free | 0.19660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.988 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.650 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.187 | 1.718 |
| Rmeas | 0.203 | 1.862 |
| Rpim | 0.078 | 0.711 |
| Total number of observations | 379327 | 24544 |
| Number of reflections | 56744 | 3626 |
| <I/σ(I)> | 10.2 | 1.3 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.7 | 6.8 |
| CC(1/2) | 0.996 | 0.451 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M bis-tris pH 6.8, 23% PEG3350 |
