7RIZ
Crystal structure of RPA3624, a beta-propeller lactonase from Rhodopseudomonas palustris, with active-site bound 2-hydroxyquinoline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-25 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.127230 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 48.558, 48.558, 199.122 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.190 - 1.710 |
R-factor | 0.1794 |
Rwork | 0.177 |
R-free | 0.20960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ris |
RMSD bond length | 0.012 |
RMSD bond angle | 1.030 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.190 | 1.771 |
High resolution limit [Å] | 1.710 | 1.710 |
Rmerge | 0.101 | 1.421 |
Rmeas | 0.104 | 1.458 |
Rpim | 0.024 | 0.323 |
Number of reflections | 30590 | 2983 |
<I/σ(I)> | 17.31 | 1.65 |
Completeness [%] | 99.3 | 98.19 |
Redundancy | 19.5 | 20.2 |
CC(1/2) | 0.999 | 0.964 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Crystals were grown in a MRC SD2 plate set with a TTP Labtech Mosquito crystallization robot. Protein sample at 9.2mg/mL was inclubated with 5mM 2-hydroxyquinoline at 293K for 1 hour prior to plate setup. The crystal providing the refinement data set was grown by mixing 200 nL protein-2HQ solution with 100 nL reservoir solution, 24% PEG3350, 0.2 M CaCl2, 0.1M bistris pH 6.5. Crystals were cryoprotected by soaking in reservoir solution supplemented to 30% PEG3350 and direct immersion in liquid nitrogen |