7Z6B
PET hydrolase PET6 from halophilic organsim Vibrio gazogenes
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-04 |
Detector | DECTRIS PILATUS3 S 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 |
Unit cell lengths | 44.820, 72.610, 72.760 |
Unit cell angles | 119.78, 91.64, 91.82 |
Refinement procedure
Resolution | 25.700 - 1.400 |
R-factor | 0.1009 |
Rwork | 0.100 |
R-free | 0.12640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xjh |
RMSD bond length | 0.014 |
RMSD bond angle | 1.515 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.700 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.047 | 0.248 |
Rmeas | 0.054 | 0.300 |
Rpim | 0.027 | 0.165 |
Number of reflections | 150015 | 14386 |
<I/σ(I)> | 19.45 | 4.7 |
Completeness [%] | 95.8 | 91.87 |
Redundancy | 3.8 | 2.6 |
CC(1/2) | 0.999 | 0.928 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 293 | Buffer for protein (150mM NaCl, 25mM HEPES, pH 7.4), protein concentration 12.3 mg/ml; 1:1 drops 0.4 microliter each Condition: 0.1M Sodium/Potassiumphosphate 35% MPD No cryo |