8PQS
Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 E88A Mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2021-05-12 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 63 |
Unit cell lengths | 135.630, 135.630, 87.560 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.400 - 1.950 |
R-factor | 0.199 |
Rwork | 0.198 |
R-free | 0.22370 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.873 |
Data reduction software | xia2 (3.4.2) |
Data scaling software | xia2 (3.4.2) |
Phasing software | PHENIX (1.19.1-4158) |
Refinement software | PHENIX ((1.19.1-4158)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.210 | 1.920 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.294 | 5.938 |
Rmeas | 0.030 | 6.026 |
Number of reflections | 73355 | 3617 |
<I/σ(I)> | 6.4 | 0.2 |
Completeness [%] | 100.0 | 98.61 |
Redundancy | 38.7 | 34.7 |
CC(1/2) | 0.999 | 0.343 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 21.43% PEG 6000; 0.1 M Tris; 0.5 M Zinc Chloride |