5ZDF
Crystal structure of poly(ADP-ribose) glycohydrolase (PARG) T267K mutant from Deinococcus radiodurans in complex with ADP-ribose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-10-03 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.99984 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 63.176, 63.176, 130.929 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.449 - 2.504 |
R-factor | 0.2044 |
Rwork | 0.199 |
R-free | 0.24870 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.050 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.12_2829)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.449 | 2.590 |
High resolution limit [Å] | 2.504 | 2.500 |
Rmerge | 0.147 | 0.508 |
Number of reflections | 10823 | |
<I/σ(I)> | 15.4 | 2.259 |
Completeness [%] | 98.8 | 90.4 |
Redundancy | 6.9 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 283 | 0.1 M Sodium citrate tribasic dihydrate pH 5.2, 20 % 2-Propanol, 20% Polyethylene glycol 4000, 10 mM Hexammine cobalt (lll) chloride |