5JBX
Crystal structure of LiuC in complex with coenzyme A and malonic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-08-27 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.7994 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.834, 84.773, 128.634 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.387 - 1.100 |
R-factor | 0.1259 |
Rwork | 0.125 |
R-free | 0.14460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jbw |
RMSD bond length | 0.007 |
RMSD bond angle | 1.097 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.880 | 42.880 | 1.120 |
High resolution limit [Å] | 1.100 | 6.020 | 1.100 |
Rmerge | 0.073 | 0.030 | 1.288 |
Number of reflections | 326543 | ||
<I/σ(I)> | 16 | ||
Completeness [%] | 99.1 | 99.8 | 97.9 |
Redundancy | 13.3 | 12.7 | 12.9 |
CC(1/2) | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 60% Tacsimate pH 6 |