4GLX
DNA ligase A in complex with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 113 |
Detector technology | CCD |
Collection date | 2009-05-27 |
Detector | Mar225 |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 110.990, 100.140, 86.570 |
Unit cell angles | 90.00, 105.50, 90.00 |
Refinement procedure
Resolution | 19.730 - 1.900 |
R-factor | 0.2032 |
Rwork | 0.201 |
R-free | 0.24970 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 2.090 |
Data reduction software | INTEGRATE |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.730 | 19.730 | 2.100 |
High resolution limit [Å] | 1.900 | 10.000 | 1.900 |
Rmerge | 0.159 | 0.029 | 0.649 |
Number of reflections | 446 | 18109 | |
<I/σ(I)> | 8.22 | 33.2 | 2.04 |
Completeness [%] | 96.1 | 84.2 | 97.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291.15 | 0.1 M sodium citrate, 25 mM sodium acetate, 24 % (w/v) PEG 4000, 0.2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K |