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 |