8K74
A novel monooxygenase
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 | 2021-09-24 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.235, 59.614, 79.715 |
Unit cell angles | 90.00, 98.84, 90.00 |
Refinement procedure
Resolution | 41.540 - 1.970 |
R-factor | 0.1852 |
Rwork | 0.183 |
R-free | 0.22150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold |
RMSD bond length | 0.007 |
RMSD bond angle | 0.942 |
Data reduction software | HKL-3000 (7.21) |
Data scaling software | HKL-3000 (7.21) |
Phasing software | PHASER (2.7.0) |
Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.540 | 2.020 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.106 | 0.068 |
Number of reflections | 44419 | 2618 |
<I/σ(I)> | 8.5 | |
Completeness [%] | 92.7 | |
Redundancy | 1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289.15 | 1.0 M Ammonium sulfate, 0.1 M HEPES pH7.0, 0.5% w/v Polyethylene glycol 8000. |