6BKF
Lysyl-adenylate form of human LigIV catalytic domain with bound DNA substrate in open conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-22 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 119.220, 119.220, 137.414 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.701 - 3.250 |
| R-factor | 0.2664 |
| Rwork | 0.264 |
| R-free | 0.31570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w5o |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.988 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.310 |
| High resolution limit [Å] | 3.250 | 3.250 |
| Rmeas | 0.089 | 0.429 |
| Rpim | 0.039 | 0.178 |
| Number of reflections | 15891 | 769 |
| <I/σ(I)> | 20 | 3 |
| Completeness [%] | 98.0 | 98.8 |
| Redundancy | 5.2 | 5.5 |
| CC(1/2) | 0.982 | 0.982 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 76.5mM HEPES pH 7.5, 15.3% PEG 4K, 7.65% isopropanol, 13.5% glycerol, 10mM MgCl2 |
