6KYY
Cu(II) complex of HOCl-induced flavoprotein disulfide reductase RclA from Escherichia coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100.15 |
Detector technology | PIXEL |
Collection date | 2019-06-19 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.00003 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.694, 188.955, 95.056 |
Unit cell angles | 90.00, 107.62, 90.00 |
Refinement procedure
Resolution | 47.240 - 2.800 |
R-factor | 0.2242 |
Rwork | 0.223 |
R-free | 0.27070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kgy |
RMSD bond length | 0.003 |
RMSD bond angle | 0.519 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.16_3549) |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.850 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.065 | 0.374 |
Rmeas | 0.081 | 0.369 |
Rpim | 0.042 | 0.198 |
Number of reflections | 81985 | 2849 |
<I/σ(I)> | 17.4 | 4.4 |
Completeness [%] | 99.4 | 97.6 |
Redundancy | 3.6 | 3.3 |
CC(1/2) | 0.991 | 0.826 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 0.2 mM ammonium sulfate, 0.1 mM Bis-Tris HCl (pH 5.8), 13% PEG 3350, 5 mM CuCl2 |