7F0G
Crystal Structure of EnPKS1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-10-14 |
| Detector | RIGAKU MERCURY |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 |
| Unit cell lengths | 52.080, 117.860, 136.470 |
| Unit cell angles | 111.34, 90.62, 91.59 |
Refinement procedure
| Resolution | 23.070 - 2.670 |
| R-factor | 0.1976 |
| Rwork | 0.197 |
| R-free | 0.22120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yjy |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.723 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.1_3865) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.490 | 2.740 |
| High resolution limit [Å] | 2.670 | 2.670 |
| Rmerge | 0.096 | 0.362 |
| Rpim | 0.061 | 0.267 |
| Number of reflections | 80588 | 5728 |
| <I/σ(I)> | 10.9 | 3.3 |
| Completeness [%] | 94.3 | 90.1 |
| Redundancy | 3.4 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Calcium acetate, PEG 3350 |
