8A36
Crystal structure of PpSB1-LOV-K117E mutant (dark state), monoclinic form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979183 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 98.754, 80.929, 94.370 |
Unit cell angles | 90.00, 93.85, 90.00 |
Refinement procedure
Resolution | 42.500 - 2.700 |
R-factor | 0.2273 |
Rwork | 0.225 |
R-free | 0.27180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5j3w |
RMSD bond length | 0.004 |
RMSD bond angle | 0.717 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19rc6_4061) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.270 | 2.830 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.072 | 1.062 |
Rmeas | 0.078 | 1.148 |
Rpim | 0.030 | 0.433 |
Number of reflections | 20405 | 2685 |
<I/σ(I)> | 10.7 | 1.5 |
Completeness [%] | 99.6 | 99.8 |
Redundancy | 6.6 | 6.9 |
CC(1/2) | 0.998 | 0.878 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293.15 | 0.1 M Sodium acetate, 24% (v/v) MPD |