8C7E
Serendipitous cyanase structure from Serratia-like contamination
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-05 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.978570 |
Spacegroup name | P 65 |
Unit cell lengths | 90.121, 90.121, 736.358 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 78.050 - 2.800 |
R-factor | 0.2033 |
Rwork | 0.202 |
R-free | 0.23580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.633 |
Data reduction software | XDS (20210323) |
Data scaling software | XDS (20210323) |
Phasing software | SIMBAD |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 78.050 | 96.500 | 2.970 |
High resolution limit [Å] | 2.800 | 8.350 | 2.800 |
Rmeas | 0.290 | 0.038 | 1.350 |
Number of reflections | 79858 | 2894 | 12846 |
<I/σ(I)> | 56.32 | 37.83 | 1.25 |
Completeness [%] | 96.5 | 92.5 | 0.962 |
Redundancy | 4.16 | 4.085 | 3.9984 |
CC(1/2) | 0.992 | 0.999 | 0.417 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEGION H11: 1% w/v Tryptone, 0.001 M Sodium azide, 0.05 M HEPES sodium pH 7.0, 12% w/v Polyethylene glycol 3350 |