6KOD
Cu(II) complex of HOCl-induced flavoprotein disulfide reductase RclA C43S mutant 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 | CCD |
Collection date | 2019-05-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97960 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.498, 189.261, 94.933 |
Unit cell angles | 90.00, 107.43, 90.00 |
Refinement procedure
Resolution | 46.610 - 3.000 |
R-factor | 0.2103 |
Rwork | 0.208 |
R-free | 0.25650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kgy |
RMSD bond length | 0.003 |
RMSD bond angle | 0.517 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.050 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.085 | 0.287 |
Rmeas | 0.098 | 0.288 |
Rpim | 0.045 | 0.163 |
Number of reflections | 45601 | 2029 |
<I/σ(I)> | 10.7 | 2.7 |
Completeness [%] | 92.8 | |
Redundancy | 3.7 | |
CC(1/2) | 0.987 | 0.669 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 0.05 M Ammonium sulfate, 0.05 M Bis-Tris HCl (pH 5.8), 28 % pentaerythrytol ethoxylate (15/4_EO/OH), 5 mM CuSO4 |