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 |