9EMW
Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 Y7F Mutant bound to ImmH-Forodesine
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 63 |
Unit cell lengths | 135.760, 135.760, 87.550 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 70.210 - 2.510 |
R-factor | 0.19026 |
Rwork | 0.187 |
R-free | 0.25261 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 2.385 |
Data reduction software | xia2 (3.10.dev0) |
Data scaling software | DIALS (3.dev) |
Phasing software | PHENIX (1.19.2-4158) |
Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.210 | 2.480 |
High resolution limit [Å] | 2.440 | 2.440 |
Rmerge | 0.160 | 1.833 |
Rmeas | 0.165 | 2.036 |
Rpim | 0.038 | 0.859 |
Number of reflections | 33966 | 1529 |
<I/σ(I)> | 9.4 | 0.3 |
Completeness [%] | 99.1 | |
Redundancy | 16.1 | |
CC(1/2) | 0.997 | 0.295 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 0.1 M Tris pH 8.0, 0.002 M Zinc chloride, 20% w/v PEG6000 |