5YDM
The crystal structure of the Acyl Transferase domain of SpnD complex with benzylmalonyl
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-03-21 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 108.927, 108.927, 144.838 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.714 - 2.500 |
R-factor | 0.1997 |
Rwork | 0.199 |
R-free | 0.22090 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.142 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX (1.10.1_2155) |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.132 | 0.709 |
Number of reflections | 30565 | |
<I/σ(I)> | 26.2 | |
Completeness [%] | 100.0 | |
Redundancy | 25.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 1.5M Lithium sulfate monohydrate a, 0.1M Bis-Tris propane pH 6.5 |