8Q5E
Crystal structure of PpSB1-LOV protein from Pseudomonas putida with covalent FMN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-11-03 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.96546 |
Spacegroup name | H 3 |
Unit cell lengths | 153.926, 153.926, 36.039 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.511 - 2.400 |
Rwork | 0.227 |
R-free | 0.29440 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.671 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.430 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.058 | 0.458 |
Rmeas | 0.078 | 0.604 |
Rpim | 0.052 | 0.390 |
Total number of observations | 22897 | 2476 |
Number of reflections | 11764 | 1262 |
<I/σ(I)> | 11.8 | 1.6 |
Completeness [%] | 94.7 | |
Redundancy | 1.9 | 2 |
CC(1/2) | 0.968 | 0.722 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 15% PEG3350, 10 mM MgCl 2 , 5 mM NiCl 2 and 100 mM HEPES buffer pH 7.0. |