7XPI
Structure of a oxidoreductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-11-16 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9791 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 113.376, 113.376, 125.892 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.110 - 2.000 |
R-factor | 0.2017 |
Rwork | 0.200 |
R-free | 0.23240 |
Structure solution method | SAD |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | RESOLVE |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 32799 | 3350 |
<I/σ(I)> | 621.3 | |
Completeness [%] | 99.9 | |
Redundancy | 20 | |
CC(1/2) | 0.993 | 0.989 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 1.8 M (NH4)2SO4, 0.1 M Bis-Tris pH 6.5, 3% w/v PEG 550MME |