8ZF1
Crystal structure of a Chemo Triplet Photoenzyme (CTPe)
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 | 2022-09-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97915 |
Spacegroup name | P 32 1 2 |
Unit cell lengths | 70.923, 70.923, 61.232 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.462 - 2.600 |
R-factor | 0.2727 |
Rwork | 0.271 |
R-free | 0.30160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.037 |
RMSD bond angle | 1.633 |
Data reduction software | autoPX |
Phasing software | PHASER |
Refinement software | PHENIX ((1.16_3549: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.360 | 2.720 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.126 | 2.470 |
Rmeas | 0.133 | 2.778 |
Rpim | 0.042 | 1.132 |
Number of reflections | 5561 | 662 |
<I/σ(I)> | 10.5 | 2.1 |
Completeness [%] | 99.9 | 99.2 |
Redundancy | 10.9 | 10.8 |
CC(1/2) | 0.919 | 0.387 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291.15 | 1.8 M NaH2PO4/K2HPO4, pH=8.2 |