7DLH
Crystallization of Cationic Peroxidase from Proso Millet and Identification of Its Phosphatase Active Sites
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-02 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.978 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 56.298, 112.665, 111.585 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.641 - 1.789 |
R-factor | 0.173 |
Rwork | 0.171 |
R-free | 0.20460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5aog |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AutoSol |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
High resolution limit [Å] | 1.789 | 4.880 | 1.800 |
Rmerge | 0.138 | 0.062 | 0.486 |
Rmeas | 0.160 | 0.072 | 0.561 |
Rpim | 0.078 | 0.035 | 0.277 |
Number of reflections | 33291 | 1778 | 1607 |
<I/σ(I)> | 3.2 | ||
Completeness [%] | 98.6 | 97.5 | 96.3 |
Redundancy | 3.7 | 3.6 | 3.7 |
CC(1/2) | 0.993 | 0.835 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 mol/L Tris-HCl, pH 8.0, 0.2 mol/L MgCl2, and 25%(w/v) PEG3350 |