3U7H
Crystal structure of mPNKP catalytic fragment (D170A) bound to single-stranded DNA (TCCTTp)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-30 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97946 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.830, 62.530, 67.980 |
Unit cell angles | 90.00, 91.69, 90.00 |
Refinement procedure
Resolution | 31.034 - 2.000 |
R-factor | 0.194 |
Rwork | 0.192 |
R-free | 0.23650 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.005 |
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] | 31.034 | 31.000 | 2.050 |
High resolution limit [Å] | 2.000 | 10.000 | 2.000 |
Rmerge | 0.083 | 0.022 | 0.506 |
Number of reflections | 23538 | 174 | 1627 |
<I/σ(I)> | 11.31 | 46.65 | 1.85 |
Completeness [%] | 96.5 | 80.9 | 92.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 25% PEG 3350, pH 7, vapor diffusion, hanging drop, temperature 298K |