3TA7
Zinc 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, 58.570, 32.980 |
| Unit cell angles | 90.00, 102.37, 90.00 |
Refinement procedure
| Resolution | 29.285 - 1.480 |
| R-factor | 0.1503 |
| Rwork | 0.147 |
| R-free | 0.17830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.491 |
| 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] | 32.210 | |
| High resolution limit [Å] | 1.480 | 1.480 |
| Number of reflections | 16869 | |
| <I/σ(I)> | 16.8 | 16.8 |
| Completeness [%] | 97.9 | 97.9 |
| Redundancy | 2.8 | 2.8 |
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 ZnCl2 and reservoir solution containing 20% PEG 3350 and 0.2 M Na2HPO4 , pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
