7ZP6
Crystal structure of evolved photoenzyme EnT1.3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-01-28 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.894, 75.596, 78.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.660 - 1.900 |
Rwork | 0.169 |
R-free | 0.21330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3i1c |
RMSD bond length | 0.005 |
RMSD bond angle | 0.897 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHENIX (1.20.1_4487) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.660 | 1.968 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.873 | |
Number of reflections | 24554 | 2405 |
<I/σ(I)> | 8.95 | 1.81 |
Completeness [%] | 100.0 | 99.92 |
Redundancy | 13.4 | 13.8 |
CC(1/2) | 0.996 | 0.872 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M Ammonium chloride, 0.1 M HEPES, pH = 7.0, 20% w/v PEG 6000 |