3TA5
Cobalt bound structure of an archaeal member of the LigD 3'-phosphoesterase DNA repair enzyme family
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 130 |
Detector technology | PIXEL |
Collection date | 2011-04-30 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.282 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 27.740, 58.400, 33.050 |
Unit cell angles | 90.00, 102.55, 90.00 |
Refinement procedure
Resolution | 24.565 - 1.520 |
R-factor | 0.1597 |
Rwork | 0.156 |
R-free | 0.18860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ph4 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.297 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: dev_833)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.240 | 1.600 |
High resolution limit [Å] | 1.520 | 1.520 |
Number of reflections | 15703 | |
<I/σ(I)> | 17.7 | |
Completeness [%] | 98.8 | 98.8 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | Crystallization was carried out in hanging-drop vapor-diffusion setups with 1:1 mixtures of protein solution containing 0.7 mM Cko and 10 mM CoCl2 and reservoir solution containing 20% PEG 3350 and 0.2 M Na2HPO4 , pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |