8PQT
Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 WT bound to Bis-Tris
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 | 2021-03-11 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 131.189, 131.189, 86.940 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 69.040 - 1.700 |
R-factor | 0.1923 |
Rwork | 0.191 |
R-free | 0.22510 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.042 |
RMSD bond angle | 1.708 |
Data reduction software | xia2 (3.3.4) |
Data scaling software | xia2 (3.3.4) |
Phasing software | PHENIX (1.19.2-4158) |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 113.610 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.145 | 1.626 |
Rmeas | 0.146 | 1.654 |
Rpim | 0.020 | 0.299 |
Number of reflections | 48818 | 2409 |
<I/σ(I)> | 19.6 | 1.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 50.9 | 29.5 |
CC(1/2) | 1.000 | 0.955 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 9.8 mg/ml enzyme; 22.5% v/v PEG Smear Broad; 0.1 M Bis-Tris pH 7.5; 0.05 M Zinc acetate dihydrate; 0.2 M Lithium sulfate |