7F0E
Crystal Structure of EnPKS2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-05-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 95.180, 112.950, 154.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 91.220 - 2.620 |
| R-factor | 0.1981 |
| Rwork | 0.196 |
| R-free | 0.24750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yjy |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.517 |
| 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] | 91.220 | 2.690 |
| High resolution limit [Å] | 2.620 | 2.620 |
| Rmerge | 0.173 | |
| Rpim | 0.052 | 0.421 |
| Number of reflections | 51197 | 3074 |
| <I/σ(I)> | 11.5 | 2.1 |
| Completeness [%] | 99.7 | 99.1 |
| Redundancy | 13.1 | 12.8 |
| CC(1/2) | 0.900 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Lithium nitrate, Polyethylene glycol 3350 |
