8PQR
Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 WT bound to DAD_Immucillin-H
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2022-05-31 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 32 |
Unit cell lengths | 97.280, 97.280, 65.850 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 51.882 - 1.586 |
R-factor | 0.1714 |
Rwork | 0.170 |
R-free | 0.19660 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.922 |
Data reduction software | XDS (Built 20220110) |
Data scaling software | autoPROC (1.0.5) |
Phasing software | PHENIX (1.19.2-4158) |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.882 | 1.613 |
High resolution limit [Å] | 1.586 | 1.586 |
Rmerge | 0.121 | 1.235 |
Rmeas | 0.127 | 2.817 |
Rpim | 0.039 | 1.082 |
Number of reflections | 94410 | 4705 |
<I/σ(I)> | 8.7 | 0.7 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 10.1 | 6.5 |
CC(1/2) | 0.998 | 0.400 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 28% v/v PEG Smear Broad; 0.1 M Tris pH 8.5; 0.15 M Ammonium Acetate; 0.01 M Calcium chloride dihydrate |