5TT5
Escherichia coli LigA (K115M) in complex with NAD+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-12 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97920 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.907, 94.312, 150.927 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.482 - 1.552 |
R-factor | 0.178 |
Rwork | 0.176 |
R-free | 0.20480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2owo |
RMSD bond length | 0.007 |
RMSD bond angle | 0.924 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.10_2155)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.063 | 0.476 |
Rpim | 0.038 | |
Number of reflections | 83987 | |
<I/σ(I)> | 22.1 | 2.2 |
Completeness [%] | 98.0 | 82.7 |
Redundancy | 4.2 | 2.7 |
CC(1/2) | 0.758 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2 M Na acetate, 20% PEG3350 |