8GS1
Crystal structure of AziU2-U3 complex from Streptomyces sahachiroi NRRL2485
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-01-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97915 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 242.930, 242.930, 135.510 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.260 - 2.700 |
R-factor | 0.1886 |
Rwork | 0.187 |
R-free | 0.21850 |
Structure solution method | SAD |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | AutoSol |
Refinement software | PHENIX (1.13) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 19.920 | 2.770 |
High resolution limit [Å] | 2.700 | 12.370 | 2.700 |
Rmerge | 0.309 | 0.043 | 2.713 |
Rmeas | 0.317 | 0.044 | 2.787 |
Rpim | 0.070 | 0.010 | 0.635 |
Total number of observations | 10600 | 84999 | |
Number of reflections | 122616 | 588 | 4478 |
<I/σ(I)> | 11.1 | 49.6 | 1.2 |
Completeness [%] | 99.7 | 76.4 | 99.7 |
Redundancy | 19.8 | 18 | 19 |
CC(1/2) | 0.995 | 1.000 | 0.502 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | Sodium formate, PEG 3350 |