5WTU
Crystal structure of DndE G21/24K mutant involved in DNA phosphorothioation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 43 |
| Unit cell lengths | 57.297, 57.297, 130.222 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.010 - 2.900 |
| R-factor | 0.2273 |
| Rwork | 0.225 |
| R-free | 0.27200 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.196 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 6.240 | 2.900 |
| Rmerge | 0.135 | 0.049 | 0.516 |
| Total number of observations | 32212 | ||
| Number of reflections | 9087 | 909 | 911 |
| <I/σ(I)> | 6.3 | ||
| Completeness [%] | 97.6 | 95 | 99.2 |
| Redundancy | 3.5 | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291.15 | 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 0.2 M Potassium sodium tartrate tetrahydrate, 2.0 M Ammonium sulfate |
