3U7G
Crystal structure of mPNKP catalytic fragment (D170A) bound to single-stranded DNA (TCCTAp)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 12.3.1 |
| Synchrotron site | ALS |
| Beamline | 12.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.1172 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.160, 43.030, 127.270 |
| Unit cell angles | 90.00, 107.12, 90.00 |
Refinement procedure
| Resolution | 40.544 - 2.100 |
| R-factor | 0.2098 |
| Rwork | 0.207 |
| R-free | 0.26000 |
| Structure solution method | 1YJ5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.044 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.544 | 40.544 | 2.150 |
| High resolution limit [Å] | 2.100 | 10.000 | 2.100 |
| Rmerge | 0.089 | 0.036 | 0.443 |
| Number of reflections | 245 | 1317 | |
| <I/σ(I)> | 10.06 | 24.12 | 2.38 |
| Completeness [%] | 90.4 | 96.1 | 82.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 25% PEG 3350, pH 6.5, vapor diffusion, hanging drop, temperature 298K |
