8E5I
Old Yellow Enzyme 1 (NpOYE1) from Neptuniibacter sp.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-06-25 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 95.298, 95.298, 87.602 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.650 - 1.700 |
R-factor | 0.1624 |
Rwork | 0.161 |
R-free | 0.19510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Alphafold |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.8) |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.650 | 47.650 | 1.730 |
High resolution limit [Å] | 1.700 | 8.990 | 1.700 |
Rmerge | 0.157 | 0.049 | 3.925 |
Rmeas | 0.160 | 0.051 | 4.002 |
Rpim | 0.031 | 0.010 | 0.774 |
Total number of observations | 1198035 | 8079 | 61933 |
Number of reflections | 45093 | 382 | 2356 |
<I/σ(I)> | 16.6 | 54.7 | 1.4 |
Completeness [%] | 100.0 | 99.5 | 99.6 |
Redundancy | 26.6 | 21.1 | 26.3 |
CC(1/2) | 0.999 | 0.999 | 0.517 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 20% PEG 3350, Bis-tris propane pH 6.5 |